Organic acids and derivatives
Filtered Search Results
3-Hydroxy-2,2-dimethylpropionic acid, 97+%
CAS: 4835-90-9 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00059953 InChI Key: RDFQSFOGKVZWKF-UHFFFAOYSA-N Synonym: hydroxypivalic acid,3-hydroxypivalic acid,2,2-dimethyl-3-hydroxypropionic acid,propanoic acid, 3-hydroxy-2,2-dimethyl,3-hydroxy-2,2-dimethylpropionic acid,unii-bjp2cxk56p,bjp2cxk56p,acmc-1arbc,beta-hydroxy pivalic acid PubChem CID: 78548 IUPAC Name: 3-hydroxy-2,2-dimethylpropanoic acid SMILES: CC(C)(CO)C(=O)O
| PubChem CID | 78548 |
|---|---|
| CAS | 4835-90-9 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00059953 |
| SMILES | CC(C)(CO)C(=O)O |
| Synonym | hydroxypivalic acid,3-hydroxypivalic acid,2,2-dimethyl-3-hydroxypropionic acid,propanoic acid, 3-hydroxy-2,2-dimethyl,3-hydroxy-2,2-dimethylpropionic acid,unii-bjp2cxk56p,bjp2cxk56p,acmc-1arbc,beta-hydroxy pivalic acid |
| IUPAC Name | 3-hydroxy-2,2-dimethylpropanoic acid |
| InChI Key | RDFQSFOGKVZWKF-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Ethyl (S)-(+)-4-cyano-3-hydroxybutyrate, 97%, ee 98+%
CAS: 312745-91-8 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00672878 InChI Key: LOQFROBMBSKWQY-UHFFFAOYNA-N Synonym: ethyl s-4-cyano-3-hydroxybutyrate,s-ethyl 4-cyano-3-hydroxybutanoate,ethyl 3s-4-cyano-3-hydroxybutanoate,s-ethyl-4-cyano-3-hydroxybutyrate,ethyl s-+-4-cyano-3-hydroxybutyrate,butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, 3s,4-cyano-3-hydroxy-butyric acid ethyl ester,pubchem21112 PubChem CID: 7020868 IUPAC Name: ethyl (3S)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)CC(O)CC#N
| PubChem CID | 7020868 |
|---|---|
| CAS | 312745-91-8 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00672878 |
| SMILES | CCOC(=O)CC(O)CC#N |
| Synonym | ethyl s-4-cyano-3-hydroxybutyrate,s-ethyl 4-cyano-3-hydroxybutanoate,ethyl 3s-4-cyano-3-hydroxybutanoate,s-ethyl-4-cyano-3-hydroxybutyrate,ethyl s-+-4-cyano-3-hydroxybutyrate,butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, 3s,4-cyano-3-hydroxy-butyric acid ethyl ester,pubchem21112 |
| IUPAC Name | ethyl (3S)-4-cyano-3-hydroxybutanoate |
| InChI Key | LOQFROBMBSKWQY-UHFFFAOYNA-N |
| Molecular Formula | C7H11NO3 |
Sodium Tartrate, Dihydrate, Crystal, Reagent, ACS, 99-101%, Spectrum™ Chemical
CAS: 6106-24-7 Molecular Formula: C4H8Na2O8 Molecular Weight (g/mol): 230.08 MDL Number: MFCD00150035 InChI Key: FGJLAJMGHXGFDE-UDMGOBQRNA-L IUPAC Name: disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate SMILES: O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6106-24-7 |
|---|---|
| Molecular Weight (g/mol) | 230.08 |
| MDL Number | MFCD00150035 |
| SMILES | O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate |
| InChI Key | FGJLAJMGHXGFDE-UDMGOBQRNA-L |
| Molecular Formula | C4H8Na2O8 |
Diphenylaminesulfonic Acid Sodium Salt, For ACS analysis, MP Biomedicals™
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: 4-(phenylamino)benzene-1-sulfonic acid sodium SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| IUPAC Name | 4-(phenylamino)benzene-1-sulfonic acid sodium |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
Cycloheptanecarboxylic acid, 95%
CAS: 1460-16-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00004152 InChI Key: VZFUCHSFHOYXIS-UHFFFAOYSA-N Synonym: cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid PubChem CID: 15091 ChEBI: CHEBI:29564 IUPAC Name: cycloheptanecarboxylic acid SMILES: OC(=O)C1CCCCCC1
| PubChem CID | 15091 |
|---|---|
| CAS | 1460-16-8 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:29564 |
| MDL Number | MFCD00004152 |
| SMILES | OC(=O)C1CCCCCC1 |
| Synonym | cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid |
| IUPAC Name | cycloheptanecarboxylic acid |
| InChI Key | VZFUCHSFHOYXIS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Benzyl 5-amino-1H-pyrazole-4-carboxylate, 98+%
CAS: 32016-28-7 Molecular Formula: C11H11N3O2 Molecular Weight (g/mol): 217.23 MDL Number: MFCD03426023 InChI Key: QBEUXDWEKIOSIL-UHFFFAOYSA-N Synonym: benzyl 5-aminopyrazole-4-carboxylate,benzyl 3-amino-2h-pyrazole-4-carboxylate,acmc-20alpl,phenylmethyl 5-aminopyrazole-4-carboxylate,3-amino-1h-pyrazole-4-carboxylic acid benzyl ester,1h-pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester PubChem CID: 4360500 IUPAC Name: benzyl 5-amino-1H-pyrazole-4-carboxylate SMILES: NC1=C(C=NN1)C(=O)OCC1=CC=CC=C1
| PubChem CID | 4360500 |
|---|---|
| CAS | 32016-28-7 |
| Molecular Weight (g/mol) | 217.23 |
| MDL Number | MFCD03426023 |
| SMILES | NC1=C(C=NN1)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl 5-aminopyrazole-4-carboxylate,benzyl 3-amino-2h-pyrazole-4-carboxylate,acmc-20alpl,phenylmethyl 5-aminopyrazole-4-carboxylate,3-amino-1h-pyrazole-4-carboxylic acid benzyl ester,1h-pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester |
| IUPAC Name | benzyl 5-amino-1H-pyrazole-4-carboxylate |
| InChI Key | QBEUXDWEKIOSIL-UHFFFAOYSA-N |
| Molecular Formula | C11H11N3O2 |
ethyle2-amino-4-methylthiophene-3-carboxylate, 97%, Thermo Scientific™
CAS: 43088-42-2 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00051669 InChI Key: ILYCZKOBLRJJSW-UHFFFAOYSA-N Synonym: 2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene PubChem CID: 521132 IUPAC Name: ethyl 2-amino-4-methylthiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC=C1C)N
| PubChem CID | 521132 |
|---|---|
| CAS | 43088-42-2 |
| Molecular Weight (g/mol) | 185.241 |
| MDL Number | MFCD00051669 |
| SMILES | CCOC(=O)C1=C(SC=C1C)N |
| Synonym | 2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene |
| IUPAC Name | ethyl 2-amino-4-methylthiophene-3-carboxylate |
| InChI Key | ILYCZKOBLRJJSW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
5-Hydroxyquinoline, 99%
CAS: 578-67-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006792 InChI Key: GVNQVWJYDXOLST-UHFFFAOYSA-N Synonym: 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline PubChem CID: 11360 IUPAC Name: 1H-quinolin-5-one SMILES: C1=CC(=O)C2=CC=CNC2=C1
| PubChem CID | 11360 |
|---|---|
| CAS | 578-67-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006792 |
| SMILES | C1=CC(=O)C2=CC=CNC2=C1 |
| Synonym | 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline |
| IUPAC Name | 1H-quinolin-5-one |
| InChI Key | GVNQVWJYDXOLST-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate, 97%
CAS: 155377-19-8 Molecular Formula: C7H7F3N2O2 Molecular Weight (g/mol): 208.14 MDL Number: MFCD00052083 InChI Key: VYXIHSAEOXPAEY-UHFFFAOYSA-N Synonym: ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester PubChem CID: 596095 IUPAC Name: ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(NN=C1)C(F)(F)F
| PubChem CID | 596095 |
|---|---|
| CAS | 155377-19-8 |
| Molecular Weight (g/mol) | 208.14 |
| MDL Number | MFCD00052083 |
| SMILES | CCOC(=O)C1=C(NN=C1)C(F)(F)F |
| Synonym | ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| InChI Key | VYXIHSAEOXPAEY-UHFFFAOYSA-N |
| Molecular Formula | C7H7F3N2O2 |
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate, 98%
CAS: 31037-02-2 Molecular Formula: C7H11N3O2 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00051652 InChI Key: MEUSJJFWVKBUFP-UHFFFAOYSA-N Synonym: ethyl 5-amino-1-methyl-1h-pyrazole-4-carboxylate,5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl5-amino-1-methylpyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester,5-amino-1-methylpyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-1-methyl-4-pyrazolecarboxylate,ethyl 5-amino-1-methyl-pyrazole-4-carboxylate,acmc-1agpk,maybridge1_003833,ethyl-5-amino-1-methyl-1h-pyrazol-4-carboxylat PubChem CID: 271299 IUPAC Name: ethyl 5-amino-1-methylpyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(N)N(C)N=C1
| PubChem CID | 271299 |
|---|---|
| CAS | 31037-02-2 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD00051652 |
| SMILES | CCOC(=O)C1=C(N)N(C)N=C1 |
| Synonym | ethyl 5-amino-1-methyl-1h-pyrazole-4-carboxylate,5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl5-amino-1-methylpyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester,5-amino-1-methylpyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-1-methyl-4-pyrazolecarboxylate,ethyl 5-amino-1-methyl-pyrazole-4-carboxylate,acmc-1agpk,maybridge1_003833,ethyl-5-amino-1-methyl-1h-pyrazol-4-carboxylat |
| IUPAC Name | ethyl 5-amino-1-methylpyrazole-4-carboxylate |
| InChI Key | MEUSJJFWVKBUFP-UHFFFAOYSA-N |
| Molecular Formula | C7H11N3O2 |
n-Hexyl acetate, 99%
CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009524 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C
| PubChem CID | 8908 |
|---|---|
| CAS | 142-92-7 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:87510 |
| MDL Number | MFCD00009524 |
| SMILES | CCCCCCOC(=O)C |
| Synonym | n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural |
| IUPAC Name | hexyl acetate |
| InChI Key | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
3-(4-Bromophenyl)propionic acid, 98%, Thermo Scientific Chemicals
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Thapsigargin, 99% (TLC), 97.6% (HPLC), MP Biomedicals™
CAS: 67526-95-8 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N Synonym: thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester PubChem CID: 126969181 IUPAC Name: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
| PubChem CID | 126969181 |
|---|---|
| CAS | 67526-95-8 |
| Molecular Weight (g/mol) | 650.76 |
| MDL Number | MFCD00083511 |
| SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
| Synonym | thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester |
| IUPAC Name | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate |
| InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
| Molecular Formula | C34H50O12 |
Thermo Scientific Chemicals beta-D-Glucose pentaacetate, 98%
CAS: 604-69-3 MDL Number: MFCD00006597 InChI Key: LPTITAGPBXDDGR-IBEHDNSVSA-N Synonym: beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β PubChem CID: 2724702 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 2724702 |
|---|---|
| CAS | 604-69-3 |
| MDL Number | MFCD00006597 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-IBEHDNSVSA-N |
Ethyl diacetoacetate, 97%
CAS: 603-69-0 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009864 InChI Key: YMCDYRGMTRCAPZ-UHFFFAOYSA-N PubChem CID: 79063 IUPAC Name: ethyl 2-acetyl-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)C(=O)C
| PubChem CID | 79063 |
|---|---|
| CAS | 603-69-0 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00009864 |
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChI Key | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |