Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
N,N-Dimethylcyclohexylamine, 99%
CAS: 98-94-2 Molecular Formula: C8H17N Molecular Weight (g/mol): 127.23 MDL Number: MFCD00003844 InChI Key: SVYKKECYCPFKGB-UHFFFAOYSA-N Synonym: n,n-dimethylcyclohexylamine,cyclohexyldimethylamine,dimethylcyclohexylamine,n-cyclohexyldimethylamine,polycat 8,cyclohexanamine, n,n-dimethyl,dimethylamino cyclohexane,n,n-dimethylaminocyclohexane,n,n-dimethyl-n-cyclohexylamine,cyclohexylamine, n,n-dimethyl PubChem CID: 7415 ChEBI: CHEBI:59022 IUPAC Name: N,N-dimethylcyclohexanamine SMILES: CN(C)C1CCCCC1
| PubChem CID | 7415 |
|---|---|
| CAS | 98-94-2 |
| Molecular Weight (g/mol) | 127.23 |
| ChEBI | CHEBI:59022 |
| MDL Number | MFCD00003844 |
| SMILES | CN(C)C1CCCCC1 |
| Synonym | n,n-dimethylcyclohexylamine,cyclohexyldimethylamine,dimethylcyclohexylamine,n-cyclohexyldimethylamine,polycat 8,cyclohexanamine, n,n-dimethyl,dimethylamino cyclohexane,n,n-dimethylaminocyclohexane,n,n-dimethyl-n-cyclohexylamine,cyclohexylamine, n,n-dimethyl |
| IUPAC Name | N,N-dimethylcyclohexanamine |
| InChI Key | SVYKKECYCPFKGB-UHFFFAOYSA-N |
| Molecular Formula | C8H17N |
Uricase, Candida utilis, Thermo Scientific Chemicals
CAS: 12-4-9002 Molecular Formula: (C3H4O2)n Molecular Weight (g/mol): 72.06 MDL Number: MFCD00084394 InChI Key: NNMHYFLPFNGQFZ-UHFFFAOYSA-M Synonym: acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer PubChem CID: 6581 ChEBI: CHEBI:18308 IUPAC Name: prop-2-enoic acid SMILES: OC(=O)C(-*)C-*
| PubChem CID | 6581 |
|---|---|
| CAS | 12-4-9002 |
| Molecular Weight (g/mol) | 72.06 |
| ChEBI | CHEBI:18308 |
| MDL Number | MFCD00084394 |
| SMILES | OC(=O)C(-*)C-* |
| Synonym | acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer |
| IUPAC Name | prop-2-enoic acid |
| InChI Key | NNMHYFLPFNGQFZ-UHFFFAOYSA-M |
| Molecular Formula | (C3H4O2)n |
3-Bromo-4-methylaniline, 97%
CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br
| PubChem CID | 82187 |
|---|---|
| CAS | 7745-91-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00134176 |
| SMILES | CC1=CC=C(N)C=C1Br |
| Synonym | 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline |
| IUPAC Name | 3-bromo-4-methylaniline |
| InChI Key | GRXMMIBZRMKADT-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
Pentafluorophenol, 99+%
CAS: 771-61-9 Molecular Formula: C6HF5O Molecular Weight (g/mol): 184.07 MDL Number: MFCD00002156 InChI Key: XBNGYFFABRKICK-UHFFFAOYSA-N Synonym: pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp PubChem CID: 13041 IUPAC Name: 2,3,4,5,6-pentafluorophenol SMILES: OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 13041 |
|---|---|
| CAS | 771-61-9 |
| Molecular Weight (g/mol) | 184.07 |
| MDL Number | MFCD00002156 |
| SMILES | OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | pentafluorophenol,phenol, pentafluoro,perfluorophenol,unii-a2ycf0yuha,a2ycf0yuha,2,3,4,5,6-pentafluorohydroxybenzene,c6f5oh,2,3,4,5,6-pentafluoro-phenol,phenol, 2,3,4,5,6-pentafluoro,hopfp |
| IUPAC Name | 2,3,4,5,6-pentafluorophenol |
| InChI Key | XBNGYFFABRKICK-UHFFFAOYSA-N |
| Molecular Formula | C6HF5O |
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide, 97%
CAS: 1892-57-5 Molecular Formula: C8H17N3 Molecular Weight (g/mol): 155.245 MDL Number: MFCD00044916 InChI Key: LMDZBCPBFSXMTL-UHFFFAOYSA-N Synonym: 1-3-dimethylaminopropyl-3-ethylcarbodiimide,edac,1-ethyl-3-3-dimethylaminopropyl carbodiimide,n1-ethylimino methylene-n3,n3-dimethylpropane-1,3-diamine,unii-rj5ozg6i4a,edci,1,3-propanediamine, n'-ethylcarbonimidoyl-n,n-dimethyl,n-3-dimethylaminopropyl-n'-ethylcarbodiimide,rj5ozg6i4a,ethyldimethylaminopropyl carbodiimide PubChem CID: 15908 IUPAC Name: 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine SMILES: CCN=C=NCCCN(C)C
| PubChem CID | 15908 |
|---|---|
| CAS | 1892-57-5 |
| Molecular Weight (g/mol) | 155.245 |
| MDL Number | MFCD00044916 |
| SMILES | CCN=C=NCCCN(C)C |
| Synonym | 1-3-dimethylaminopropyl-3-ethylcarbodiimide,edac,1-ethyl-3-3-dimethylaminopropyl carbodiimide,n1-ethylimino methylene-n3,n3-dimethylpropane-1,3-diamine,unii-rj5ozg6i4a,edci,1,3-propanediamine, n'-ethylcarbonimidoyl-n,n-dimethyl,n-3-dimethylaminopropyl-n'-ethylcarbodiimide,rj5ozg6i4a,ethyldimethylaminopropyl carbodiimide |
| IUPAC Name | 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine |
| InChI Key | LMDZBCPBFSXMTL-UHFFFAOYSA-N |
| Molecular Formula | C8H17N3 |
3-Acetylcoumarin, 98+%
CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O
| PubChem CID | 77553 |
|---|---|
| CAS | 3949-36-8 |
| Molecular Weight (g/mol) | 188.182 |
| MDL Number | MFCD00006853 |
| SMILES | CC(=O)C1=CC2=CC=CC=C2OC1=O |
| Synonym | 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 |
| IUPAC Name | 3-acetylchromen-2-one |
| InChI Key | CSPIFKKOBWYOEX-UHFFFAOYSA-N |
| Molecular Formula | C11H8O3 |
Sodium 1-Octanesulfonate 98.0+%, TCI America™
CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O
| PubChem CID | 23669624 |
|---|---|
| CAS | 5324-84-5 |
| Molecular Weight (g/mol) | 216.27 |
| MDL Number | MFCD00007544 |
| SMILES | [Na+].CCCCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 |
| IUPAC Name | sodium octane-1-sulfonate |
| InChI Key | HRQDCDQDOPSGBR-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO3S |
Heptafluorobutyric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS], TCI America™
CAS: 375-22-4 Molecular Formula: C4HF7O2 Molecular Weight (g/mol): 214.039 MDL Number: MFCD00004171 InChI Key: YPJUNDFVDDCYIH-UHFFFAOYSA-N Synonym: heptafluorobutyric acid,perfluorobutyric acid,heptafluorobutanoic acid,perfluorobutanoic acid,butanoic acid, heptafluoro,heptafluoro-1-butanoic acid,perfluoropropanecarboxylic acid,butyric acid, heptafluoro,kyselina heptafluormaselna,kyselina heptafluormaselna czech PubChem CID: 9777 ChEBI: CHEBI:39426 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
| PubChem CID | 9777 |
|---|---|
| CAS | 375-22-4 |
| Molecular Weight (g/mol) | 214.039 |
| ChEBI | CHEBI:39426 |
| MDL Number | MFCD00004171 |
| SMILES | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O |
| Synonym | heptafluorobutyric acid,perfluorobutyric acid,heptafluorobutanoic acid,perfluorobutanoic acid,butanoic acid, heptafluoro,heptafluoro-1-butanoic acid,perfluoropropanecarboxylic acid,butyric acid, heptafluoro,kyselina heptafluormaselna,kyselina heptafluormaselna czech |
| IUPAC Name | 2,2,3,3,4,4,4-heptafluorobutanoic acid |
| InChI Key | YPJUNDFVDDCYIH-UHFFFAOYSA-N |
| Molecular Formula | C4HF7O2 |
Thermo Scientific Chemicals Ergosterol, 98%
CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
| PubChem CID | 444679 |
|---|---|
| CAS | 57-87-4 |
| Molecular Weight (g/mol) | 396.64 |
| ChEBI | CHEBI:16933 |
| MDL Number | MFCD00003623 |
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Synonym | ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Formula | C28H44O |
2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 55907-61-4 Molecular Formula: C6H7ClN4O4 Molecular Weight (g/mol): 234.60 MDL Number: MFCD00050688 InChI Key: PUYFAZQODQZOFK-UHFFFAOYSA-N PubChem CID: 5463312 IUPAC Name: hydrogen (2,4-dinitrophenyl)hydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 5463312 |
|---|---|
| CAS | 55907-61-4 |
| Molecular Weight (g/mol) | 234.60 |
| MDL Number | MFCD00050688 |
| SMILES | [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| IUPAC Name | hydrogen (2,4-dinitrophenyl)hydrazine chloride |
| InChI Key | PUYFAZQODQZOFK-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN4O4 |
2-Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
| PubChem CID | 7898 |
|---|---|
| CAS | 107-91-5 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00008024 |
| SMILES | NC(=O)CC#N |
| Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
| IUPAC Name | 2-cyanoacetamide |
| InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |
3,4,9,10-Perylenetetracarboxylic dianhydride, 98%
CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
| PubChem CID | 67191 |
|---|---|
| CAS | 128-69-8 |
| Molecular Weight (g/mol) | 392.32 |
| MDL Number | MFCD00006916 |
| SMILES | O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56 |
| Synonym | 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride |
| IUPAC Name | 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone |
| InChI Key | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| Molecular Formula | C24H8O6 |
Guaiacol 98.0+%, TCI America™
CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002185 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O
| PubChem CID | 460 |
|---|---|
| CAS | 90-05-1 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:28591 |
| MDL Number | MFCD00002185 |
| SMILES | COC1=CC=CC=C1O |
| Synonym | guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid |
| IUPAC Name | 2-methoxyphenol |
| InChI Key | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
3,4-Diaminopyridine, 97%
CAS: 54-96-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006401 InChI Key: OYTKINVCDFNREN-UHFFFAOYSA-N Synonym: 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino PubChem CID: 5918 IUPAC Name: pyridine-3,4-diamine SMILES: C1=CN=CC(=C1N)N
| PubChem CID | 5918 |
|---|---|
| CAS | 54-96-6 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006401 |
| SMILES | C1=CN=CC(=C1N)N |
| Synonym | 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino |
| IUPAC Name | pyridine-3,4-diamine |
| InChI Key | OYTKINVCDFNREN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Aescin, 98%
CAS: 6805-41-0 Molecular Formula: C55H86O24 Molecular Weight (g/mol): 1131.269 MDL Number: MFCD00076054 InChI Key: AXNVHPCVMSNXNP-XJVYZZIXSA-N Synonym: aescin PubChem CID: 133640184 IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2R,3S,4R,5R, SMILES: CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
| PubChem CID | 133640184 |
|---|---|
| CAS | 6805-41-0 |
| Molecular Weight (g/mol) | 1131.269 |
| MDL Number | MFCD00076054 |
| SMILES | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C |
| Synonym | aescin |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2R,3S,4R,5R, |
| InChI Key | AXNVHPCVMSNXNP-XJVYZZIXSA-N |
| Molecular Formula | C55H86O24 |