Lipids and Lipid Derivatives
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Thermo Scientific Chemicals Estradiene dione
CAS: 5571-36-8 Molecular Formula: C20H26O3 Molecular Weight (g/mol): 314.43 InChI Key: XUOQKQRMICQUQC-UHFFFAOYNA-N IUPAC Name: 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one SMILES: CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
| CAS | 5571-36-8 |
|---|---|
| Molecular Weight (g/mol) | 314.43 |
| SMILES | CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O |
| IUPAC Name | 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one |
| InChI Key | XUOQKQRMICQUQC-UHFFFAOYNA-N |
| Molecular Formula | C20H26O3 |
Methyl 4-bromobutyrate, 98+%
CAS: 4897-84-1 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00041482 InChI Key: QAWFLJGZSZIZHO-UHFFFAOYSA-N Synonym: methyl 4-bromobutyrate,4-bromobutyric acid methyl ester,methyl-4-bromobutyrate,butanoic acid, 4-bromo-, methyl ester,methyl4-bromobutyrate,butyric acid, 4-bromo-, methyl ester,methyl gamma-bromobutyrate,acmc-1amn9,4-brombutyric acid methyl ester,4-bromobutyric acid methyl-ester PubChem CID: 107604 IUPAC Name: methyl 4-bromobutanoate SMILES: COC(=O)CCCBr
| PubChem CID | 107604 |
|---|---|
| CAS | 4897-84-1 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00041482 |
| SMILES | COC(=O)CCCBr |
| Synonym | methyl 4-bromobutyrate,4-bromobutyric acid methyl ester,methyl-4-bromobutyrate,butanoic acid, 4-bromo-, methyl ester,methyl4-bromobutyrate,butyric acid, 4-bromo-, methyl ester,methyl gamma-bromobutyrate,acmc-1amn9,4-brombutyric acid methyl ester,4-bromobutyric acid methyl-ester |
| IUPAC Name | methyl 4-bromobutanoate |
| InChI Key | QAWFLJGZSZIZHO-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO2 |
trans-2-Hexen-1-ol, 96%
CAS: 928-95-0 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00002927 InChI Key: ZCHHRLHTBGRGOT-SNAWJCMRSA-N Synonym: trans-2-hexen-1-ol,trans-2-hexenol,2-hexenol,e-hex-2-en-1-ol,e-2-hexen-1-ol,2-hexen-1-ol,2-hexen-1-ol, 2e,3-propylallyl alcohol,2-hexen-1-ol, e,2-hexen-1-ol, trans PubChem CID: 5318042 SMILES: CCC\C=C\CO
| PubChem CID | 5318042 |
|---|---|
| CAS | 928-95-0 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD00002927 |
| SMILES | CCC\C=C\CO |
| Synonym | trans-2-hexen-1-ol,trans-2-hexenol,2-hexenol,e-hex-2-en-1-ol,e-2-hexen-1-ol,2-hexen-1-ol,2-hexen-1-ol, 2e,3-propylallyl alcohol,2-hexen-1-ol, e,2-hexen-1-ol, trans |
| InChI Key | ZCHHRLHTBGRGOT-SNAWJCMRSA-N |
| Molecular Formula | C6H12O |
5-Hexen-1-ol, 98%
CAS: 821-41-0 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00002981 InChI Key: UIZVMOZAXAMASY-UHFFFAOYSA-N Synonym: 5-hexen-1-ol,1-hexen-6-ol,5-hexenol,unii-57pd1rf6g7,5-hexene-1-ol,5-hexanol,hex-1-en-6-ol,acmc-209pn9,ho ch2 4ch=ch2 PubChem CID: 69963 IUPAC Name: hex-5-en-1-ol SMILES: C=CCCCCO
| PubChem CID | 69963 |
|---|---|
| CAS | 821-41-0 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00002981 |
| SMILES | C=CCCCCO |
| Synonym | 5-hexen-1-ol,1-hexen-6-ol,5-hexenol,unii-57pd1rf6g7,5-hexene-1-ol,5-hexanol,hex-1-en-6-ol,acmc-209pn9,ho ch2 4ch=ch2 |
| IUPAC Name | hex-5-en-1-ol |
| InChI Key | UIZVMOZAXAMASY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
N-Boc-3-cyclohexyl-L-alanine, 98%
CAS: 37736-82-6 Molecular Formula: C14H25NO4 Molecular Weight (g/mol): 271.357 MDL Number: MFCD00211335 InChI Key: MSZQAQJBXGTSHP-NSHDSACASA-N Synonym: boc-cha-oh,boc-cha-oh hydrate,s-2-tert-butoxycarbonyl amino-3-cyclohexylpropanoic acid,boc-beta-cyclohexyl-ala-oh,boc-l-cyclohexylalanine,s-2-tert-butoxycarbonylamino-3-cyclohexyl-propionic acid,n-boc-b-cyclohexylalanine,2s-2-tert-butoxycarbonyl amino-3-cyclohexylpropanoic acid,boc-cyclohexyl-ala-oh,boc-3-cyclohexyl-l-alanine PubChem CID: 10588189 IUPAC Name: (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
| PubChem CID | 10588189 |
|---|---|
| CAS | 37736-82-6 |
| Molecular Weight (g/mol) | 271.357 |
| MDL Number | MFCD00211335 |
| SMILES | CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O |
| Synonym | boc-cha-oh,boc-cha-oh hydrate,s-2-tert-butoxycarbonyl amino-3-cyclohexylpropanoic acid,boc-beta-cyclohexyl-ala-oh,boc-l-cyclohexylalanine,s-2-tert-butoxycarbonylamino-3-cyclohexyl-propionic acid,n-boc-b-cyclohexylalanine,2s-2-tert-butoxycarbonyl amino-3-cyclohexylpropanoic acid,boc-cyclohexyl-ala-oh,boc-3-cyclohexyl-l-alanine |
| IUPAC Name | (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | MSZQAQJBXGTSHP-NSHDSACASA-N |
| Molecular Formula | C14H25NO4 |
2-Hydroxy-4-methylvaleric acid, 98%
CAS: 498-36-2 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00004246 InChI Key: LVRFTAZAXQPQHI-UHFFFAOYSA-N Synonym: 2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate PubChem CID: 92779 ChEBI: CHEBI:59783 IUPAC Name: 2-hydroxy-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)O
| PubChem CID | 92779 |
|---|---|
| CAS | 498-36-2 |
| Molecular Weight (g/mol) | 132.159 |
| ChEBI | CHEBI:59783 |
| MDL Number | MFCD00004246 |
| SMILES | CC(C)CC(C(=O)O)O |
| Synonym | 2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate |
| IUPAC Name | 2-hydroxy-4-methylpentanoic acid |
| InChI Key | LVRFTAZAXQPQHI-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Palmityl palmitate, 96%
CAS: 540-10-3 Molecular Formula: C32H64O2 Molecular Weight (g/mol): 480.86 MDL Number: MFCD00053739 InChI Key: PXDJXZJSCPSGGI-UHFFFAOYSA-N Synonym: cetyl palmitate,hexadecyl palmitate,palmityl palmitate,cetin,hexadecanoic acid, hexadecyl ester,standamul 1616,hexadecanoic acid hexadecyl ester,hexadecanyl hexadecanoate,n-hexadecyl hexadecanoate,palmitic acid palmityl ester PubChem CID: 10889 ChEBI: CHEBI:75584 IUPAC Name: hexadecyl hexadecanoate SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
| PubChem CID | 10889 |
|---|---|
| CAS | 540-10-3 |
| Molecular Weight (g/mol) | 480.86 |
| ChEBI | CHEBI:75584 |
| MDL Number | MFCD00053739 |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC |
| Synonym | cetyl palmitate,hexadecyl palmitate,palmityl palmitate,cetin,hexadecanoic acid, hexadecyl ester,standamul 1616,hexadecanoic acid hexadecyl ester,hexadecanyl hexadecanoate,n-hexadecyl hexadecanoate,palmitic acid palmityl ester |
| IUPAC Name | hexadecyl hexadecanoate |
| InChI Key | PXDJXZJSCPSGGI-UHFFFAOYSA-N |
| Molecular Formula | C32H64O2 |
DL-10-Camphorsulfonic acid, sodium salt, 98%
CAS: 34850-66-3 Molecular Formula: C10H15NaO4S Molecular Weight (g/mol): 254.28 MDL Number: MFCD00135623 InChI Key: AWMAOFAHBPCBHJ-UHFFFAOYSA-M Synonym: sodium camphorsulfonate,sodium 7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonate,sodium +/--10-camphorsulfonate,d-camphor-10-sulfonic acid sodium salt,sodium camphorsulfonate anion,bicyclo 2.2.1 heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt,+--sodium camphorsulfonate,sodium 2-oxobornane-10-sulphonate,sodium di-10-camphorsulfonate PubChem CID: 23686666 IUPAC Name: sodium;(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+]
| PubChem CID | 23686666 |
|---|---|
| CAS | 34850-66-3 |
| Molecular Weight (g/mol) | 254.28 |
| MDL Number | MFCD00135623 |
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+] |
| Synonym | sodium camphorsulfonate,sodium 7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonate,sodium +/--10-camphorsulfonate,d-camphor-10-sulfonic acid sodium salt,sodium camphorsulfonate anion,bicyclo 2.2.1 heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt,+--sodium camphorsulfonate,sodium 2-oxobornane-10-sulphonate,sodium di-10-camphorsulfonate |
| IUPAC Name | sodium;(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate |
| InChI Key | AWMAOFAHBPCBHJ-UHFFFAOYSA-M |
| Molecular Formula | C10H15NaO4S |
2-Bromobutyric acid, 99%
CAS: 80-58-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00004216,MFCD00210111,MFCD00210112 InChI Key: YAQLSKVCTLCIIE-UHFFFAOYNA-N Synonym: 2-bromobutyric acid,alpha-bromobutyric acid,butanoic acid, 2-bromo,butyric acid, 2-bromo,.alpha.-bromobytyric acid,butyric acid, .alpha.-bromo,dl-2-bromobutyric acid,a-bromobutyric acid,butyric acid, alpha-bromo,bromobutyric acid PubChem CID: 6655 IUPAC Name: 2-bromobutanoic acid SMILES: CCC(Br)C(O)=O
| PubChem CID | 6655 |
|---|---|
| CAS | 80-58-0 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00004216,MFCD00210111,MFCD00210112 |
| SMILES | CCC(Br)C(O)=O |
| Synonym | 2-bromobutyric acid,alpha-bromobutyric acid,butanoic acid, 2-bromo,butyric acid, 2-bromo,.alpha.-bromobytyric acid,butyric acid, .alpha.-bromo,dl-2-bromobutyric acid,a-bromobutyric acid,butyric acid, alpha-bromo,bromobutyric acid |
| IUPAC Name | 2-bromobutanoic acid |
| InChI Key | YAQLSKVCTLCIIE-UHFFFAOYNA-N |
| Molecular Formula | C4H7BrO2 |
Methyl 3-oxo-pentanoate, 99+%
CAS: 30414-53-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00011705 InChI Key: XJMIXEAZMCTAGH-UHFFFAOYSA-N Synonym: methyl 3-oxovalerate,methyl propionylacetate,methyl 3-oxo-pentanoate,pentanoic acid, 3-oxo-, methyl ester,methyl-3-oxo pentanoate,methyl 3-oxo-n-valerate,valeric acid, 3-oxo-, methyl ester,3-oxovaleric acid methyl ester,3-oxo-pentanoic acid methyl ester,3-keto-n-valeric acid methyl ester PubChem CID: 121699 IUPAC Name: methyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OC
| PubChem CID | 121699 |
|---|---|
| CAS | 30414-53-0 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00011705 |
| SMILES | CCC(=O)CC(=O)OC |
| Synonym | methyl 3-oxovalerate,methyl propionylacetate,methyl 3-oxo-pentanoate,pentanoic acid, 3-oxo-, methyl ester,methyl-3-oxo pentanoate,methyl 3-oxo-n-valerate,valeric acid, 3-oxo-, methyl ester,3-oxovaleric acid methyl ester,3-oxo-pentanoic acid methyl ester,3-keto-n-valeric acid methyl ester |
| IUPAC Name | methyl 3-oxopentanoate |
| InChI Key | XJMIXEAZMCTAGH-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
Norethisterone, Thermo Scientific Chemicals
CAS: 68-22-4 Molecular Formula: C20H26O2 Molecular Weight (g/mol): 298.42 InChI Key: VIKNJXKGJWUCNN-XGXHKTLJSA-N Synonym: norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone PubChem CID: 6230 ChEBI: CHEBI:7627 IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
| PubChem CID | 6230 |
|---|---|
| CAS | 68-22-4 |
| Molecular Weight (g/mol) | 298.42 |
| ChEBI | CHEBI:7627 |
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 |
| Synonym | norethindrone,norethisterone,norethisteron,micronor,19-norethisterone,norcolut,noriday,norlutin,primolut-n,norethynodrone |
| IUPAC Name | (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | VIKNJXKGJWUCNN-XGXHKTLJSA-N |
| Molecular Formula | C20H26O2 |
Fluorometholone, 97%, Thermo Scientific Chemicals
CAS: 426-13-1 Molecular Formula: C22H29FO4 Molecular Weight (g/mol): 376.46 InChI Key: FAOZLTXFLGPHNG-KNAQIMQKSA-N Synonym: fluorometholone,oxylone,flumetholon,fluormetholone,fml liquifilm,fluor-op,cortilet,delmeson,trilcin,fml forte PubChem CID: 9878 ChEBI: CHEBI:31625 IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
| PubChem CID | 9878 |
|---|---|
| CAS | 426-13-1 |
| Molecular Weight (g/mol) | 376.46 |
| ChEBI | CHEBI:31625 |
| SMILES | CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O |
| Synonym | fluorometholone,oxylone,flumetholon,fluormetholone,fml liquifilm,fluor-op,cortilet,delmeson,trilcin,fml forte |
| IUPAC Name | (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| InChI Key | FAOZLTXFLGPHNG-KNAQIMQKSA-N |
| Molecular Formula | C22H29FO4 |
(+)-3-Carene
CAS: 498-15-7 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066417 InChI Key: BQOFWKZOCNGFEC-BDAKNGLRSA-N IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C
| CAS | 498-15-7 |
|---|---|
| Molecular Weight (g/mol) | 136.24 |
| MDL Number | MFCD00066417 |
| SMILES | CC1=CC[C@@H]2[C@H](C1)C2(C)C |
| IUPAC Name | (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
| InChI Key | BQOFWKZOCNGFEC-BDAKNGLRSA-N |
| Molecular Formula | C10H16 |
Ecdysterone
CAS: 5289-74-7 Molecular Formula: C27H44O7 Molecular Weight (g/mol): 480.64 MDL Number: MFCD00036740 InChI Key: NKDFYOWSKOHCCO-YPVLXUMRSA-N Synonym: 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson PubChem CID: 5459840 ChEBI: CHEBI:16587 IUPAC Name: (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
| PubChem CID | 5459840 |
|---|---|
| CAS | 5289-74-7 |
| Molecular Weight (g/mol) | 480.64 |
| ChEBI | CHEBI:16587 |
| MDL Number | MFCD00036740 |
| SMILES | CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
| Synonym | 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson |
| IUPAC Name | (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one |
| InChI Key | NKDFYOWSKOHCCO-YPVLXUMRSA-N |
| Molecular Formula | C27H44O7 |
Squalene, 99%, Spectrum™ Chemical
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CAS: 111-02-4
| CAS | 111-02-4 |
|---|