Lipids and Lipid Derivatives
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2,4,6-Triisopropylbenzoyl chloride, 98+%
CAS: 57199-00-5 Molecular Formula: C16H23ClO Molecular Weight (g/mol): 266.809 MDL Number: MFCD00015030 InChI Key: OSKNTKJPGKHDHV-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride PubChem CID: 92697 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
| PubChem CID | 92697 |
|---|---|
| CAS | 57199-00-5 |
| Molecular Weight (g/mol) | 266.809 |
| MDL Number | MFCD00015030 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C |
| Synonym | 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride |
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzoyl chloride |
| InChI Key | OSKNTKJPGKHDHV-UHFFFAOYSA-N |
| Molecular Formula | C16H23ClO |
Farnesylacetone, mixture of isomers, 97%
CAS: 762-29-8 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.437 MDL Number: MFCD00036517 InChI Key: LTUMRKDLVGQMJU-IUBLYSDUSA-N Synonym: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
| PubChem CID | 1711945 |
|---|---|
| CAS | 762-29-8 |
| Molecular Weight (g/mol) | 262.437 |
| ChEBI | CHEBI:67252 |
| MDL Number | MFCD00036517 |
| SMILES | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
| Synonym | farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl |
| IUPAC Name | (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| InChI Key | LTUMRKDLVGQMJU-IUBLYSDUSA-N |
| Molecular Formula | C18H30O |
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 |
3-(Trifluoromethyl)crotonic acid, 96%
CAS: 69056-67-3 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00014374,MFCD01457157 InChI Key: QRRCTLYMABZQCS-NSCUHMNNSA-N Synonym: beta-trifluoromethylcrotonic acid,3-trifluoromethylcrotonic acid,3-trifluoromethyl crotonic acid,2z-4,4,4-trifluoro-3-methylbut-2-enoic acid,heddpadiaicichiceiumlbbp,z-4,4,4-trifluoro-3-methylbut-2-enoic acid,4,4,4-trifluoro-3-methyl-2-butenoic acid,2-butenoic acid,4,4,4-trifluoro-3-methyl-, 2z PubChem CID: 5708835 IUPAC Name: (Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid SMILES: C\C(=C/C(O)=O)C(F)(F)F
| PubChem CID | 5708835 |
|---|---|
| CAS | 69056-67-3 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00014374,MFCD01457157 |
| SMILES | C\C(=C/C(O)=O)C(F)(F)F |
| Synonym | beta-trifluoromethylcrotonic acid,3-trifluoromethylcrotonic acid,3-trifluoromethyl crotonic acid,2z-4,4,4-trifluoro-3-methylbut-2-enoic acid,heddpadiaicichiceiumlbbp,z-4,4,4-trifluoro-3-methylbut-2-enoic acid,4,4,4-trifluoro-3-methyl-2-butenoic acid,2-butenoic acid,4,4,4-trifluoro-3-methyl-, 2z |
| IUPAC Name | (Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid |
| InChI Key | QRRCTLYMABZQCS-NSCUHMNNSA-N |
| Molecular Formula | C5H5F3O2 |
5-Hexyn-1-ol, 97%
CAS: 928-90-5 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00002980 InChI Key: GOQJMMHTSOQIEI-UHFFFAOYSA-N Synonym: 5-hexyn-1-ol,1-hydroxy-5-hexyne,5-hexyne-1-ol,5-hextyn-1-ol,5-hexynol,5-hexynyl alcohol,hex-5-ynol,5-hexyn-l-ol,6-hydroxy-1-hexyne,pubchem13078 PubChem CID: 70234 IUPAC Name: hex-5-yn-1-ol SMILES: OCCCCC#C
| PubChem CID | 70234 |
|---|---|
| CAS | 928-90-5 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00002980 |
| SMILES | OCCCCC#C |
| Synonym | 5-hexyn-1-ol,1-hydroxy-5-hexyne,5-hexyne-1-ol,5-hextyn-1-ol,5-hexynol,5-hexynyl alcohol,hex-5-ynol,5-hexyn-l-ol,6-hydroxy-1-hexyne,pubchem13078 |
| IUPAC Name | hex-5-yn-1-ol |
| InChI Key | GOQJMMHTSOQIEI-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
Vinylacetic acid, 96%
CAS: 625-38-7 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002782 InChI Key: PVEOYINWKBTPIZ-UHFFFAOYSA-N Synonym: 3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid PubChem CID: 32743 ChEBI: CHEBI:35897 IUPAC Name: but-3-enoic acid SMILES: OC(=O)CC=C
| PubChem CID | 32743 |
|---|---|
| CAS | 625-38-7 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:35897 |
| MDL Number | MFCD00002782 |
| SMILES | OC(=O)CC=C |
| Synonym | 3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid |
| IUPAC Name | but-3-enoic acid |
| InChI Key | PVEOYINWKBTPIZ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride, 97%, Thermo Scientific™
CAS: 32768-19-7 Molecular Formula: C10H20ClN Molecular Weight (g/mol): 189.727 MDL Number: MFCD00180693 InChI Key: XVVITZVHMWAHIG-VMKQZJJLSA-N Synonym: 1,7,7-trimethylbicyclo 2.2.1 heptan-2-amine hydrochloride,bornylamine, hydrochloride,bornylamine hydrochloride,1,7,7-trimethylnorbornan-2-amine,1,7,7-trimethylbicyclo 2.2.1 hept-2-ylamine, chloride,4,7,7-trimethylbicyclo 2.2.1 heptan-3-amine hydrochloride PubChem CID: 55283045 IUPAC Name: (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine;hydrochloride SMILES: CC1(C2CCC1(C(C2)N)C)C.Cl
| PubChem CID | 55283045 |
|---|---|
| CAS | 32768-19-7 |
| Molecular Weight (g/mol) | 189.727 |
| MDL Number | MFCD00180693 |
| SMILES | CC1(C2CCC1(C(C2)N)C)C.Cl |
| Synonym | 1,7,7-trimethylbicyclo 2.2.1 heptan-2-amine hydrochloride,bornylamine, hydrochloride,bornylamine hydrochloride,1,7,7-trimethylnorbornan-2-amine,1,7,7-trimethylbicyclo 2.2.1 hept-2-ylamine, chloride,4,7,7-trimethylbicyclo 2.2.1 heptan-3-amine hydrochloride |
| IUPAC Name | (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine;hydrochloride |
| InChI Key | XVVITZVHMWAHIG-VMKQZJJLSA-N |
| Molecular Formula | C10H20ClN |
Tretinoin, Powder, USP, 97-103%, Spectrum™ Chemical
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CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
| CAS | 302-79-4 |
|---|---|
| Molecular Weight (g/mol) | 300.44 |
| MDL Number | MFCD00001551 |
| SMILES | C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid |
| InChI Key | SHGAZHPCJJPHSC-YCNIQYBTSA-N |
| Molecular Formula | C20H28O2 |
Dimethyl pimelate, 98+%
CAS: 1732-08-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00008470 InChI Key: SHWINQXIGSEZAP-UHFFFAOYSA-N Synonym: dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1 PubChem CID: 74416 IUPAC Name: dimethyl heptanedioate SMILES: COC(=O)CCCCCC(=O)OC
| PubChem CID | 74416 |
|---|---|
| CAS | 1732-08-7 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00008470 |
| SMILES | COC(=O)CCCCCC(=O)OC |
| Synonym | dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1 |
| IUPAC Name | dimethyl heptanedioate |
| InChI Key | SHWINQXIGSEZAP-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Sodium Caprate, MP Biomedicals
CAS: 1002-62-6 Molecular Formula: C10H19NaO2 Molecular Weight (g/mol): 194.25 MDL Number: MFCD00066453 InChI Key: FIWQZURFGYXCEO-UHFFFAOYSA-M Synonym: sodium decanoate,sodium caprate,decanoic acid, sodium salt,decanoic acid sodium salt,sodium caprinate,capric acid sodium salt,sodium-n-decanoate,sodium decanoic acid,capric acid, sodium salt,caprinic acid sodium salt PubChem CID: 4457968 IUPAC Name: sodium decanoate SMILES: [Na+].CCCCCCCCCC([O-])=O
| PubChem CID | 4457968 |
|---|---|
| CAS | 1002-62-6 |
| Molecular Weight (g/mol) | 194.25 |
| MDL Number | MFCD00066453 |
| SMILES | [Na+].CCCCCCCCCC([O-])=O |
| Synonym | sodium decanoate,sodium caprate,decanoic acid, sodium salt,decanoic acid sodium salt,sodium caprinate,capric acid sodium salt,sodium-n-decanoate,sodium decanoic acid,capric acid, sodium salt,caprinic acid sodium salt |
| IUPAC Name | sodium decanoate |
| InChI Key | FIWQZURFGYXCEO-UHFFFAOYSA-M |
| Molecular Formula | C10H19NaO2 |
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 |
(+)-Dihydrocarvone, 98%, mixture of isomers
CAS: 5524-05-0 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C
| PubChem CID | 22227 |
|---|---|
| CAS | 5524-05-0 |
| Molecular Weight (g/mol) | 152.24 |
| ChEBI | CHEBI:154 |
| MDL Number | MFCD00001636 |
| SMILES | CC1CCC(CC1=O)C(=C)C |
| Synonym | +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r |
| IUPAC Name | (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
| InChI Key | AZOCECCLWFDTAP-RKDXNWHRSA-N |
| Molecular Formula | C10H16O |
20-Hydroxyecdysone, ≥95%, MP Biomedicals™
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 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 |
| InChI Key | NKDFYOWSKOHCCO-YPVLXUMRSA-N |
| Molecular Formula | C27H44O7 |
BOC-5-Aminopentanoic acid, 97%
CAS: 27219-07-4 Molecular Formula: C10H19NO4 Molecular Weight (g/mol): 217.26 InChI Key: GFMRZAMDGJIWRB-UHFFFAOYSA-N Synonym: boc-5-ava-oh,5-tert-butoxycarbonylamino valeric acid,boc-5-aminovaleric acid,5-boc-amino valeric acid,5-tert-butoxycarbonyl amino pentanoic acid,5-boc-amino-pentanoic acid,n-boc-5-aminopentanoic acid,pentanoic acid, 5-1,1-dimethylethoxy carbonyl amino,n-boc-5-aminovaleric acid PubChem CID: 545848 IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC(C)(C)OC(=O)NCCCCC(=O)O
| PubChem CID | 545848 |
|---|---|
| CAS | 27219-07-4 |
| Molecular Weight (g/mol) | 217.26 |
| SMILES | CC(C)(C)OC(=O)NCCCCC(=O)O |
| Synonym | boc-5-ava-oh,5-tert-butoxycarbonylamino valeric acid,boc-5-aminovaleric acid,5-boc-amino valeric acid,5-tert-butoxycarbonyl amino pentanoic acid,5-boc-amino-pentanoic acid,n-boc-5-aminopentanoic acid,pentanoic acid, 5-1,1-dimethylethoxy carbonyl amino,n-boc-5-aminovaleric acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI Key | GFMRZAMDGJIWRB-UHFFFAOYSA-N |
| Molecular Formula | C10H19NO4 |
Cortisone
CAS: 53-06-5 Molecular Formula: C21H28O5 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00003610 InChI Key: MFYSYFVPBJMHGN-ZPOLXVRWSA-N Synonym: cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex PubChem CID: 222786 ChEBI: CHEBI:16962 IUPAC Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
| PubChem CID | 222786 |
|---|---|
| CAS | 53-06-5 |
| Molecular Weight (g/mol) | 360.45 |
| ChEBI | CHEBI:16962 |
| MDL Number | MFCD00003610 |
| SMILES | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |
| Synonym | cortisone,andreson,cortisal,cortisate,cortistal,cortivite,cortogen,cortone,kendall's compound e,adrenalex |
| IUPAC Name | (1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione |
| InChI Key | MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
| Molecular Formula | C21H28O5 |