Products 1093397-74-0

CAS 1093397-74-0 is the registry number for Cholic Acid Impurity 67. Offered by: Chemat Brand. Available pack sizes: on request.

Cholic Acid Impurity 67
Chemat Brand
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5R,8S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 1093397-74-0) is a chemical compound with the molecular formula C27H40O4 and a molecular weight of 428.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5R,8S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: GISKXNLBBXFRDO-JMCMSBJXSA-N.

Identity
Molecular formulaC27H40O4
Molecular weight428.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5R,8S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyGISKXNLBBXFRDO-JMCMSBJXSA-N
SMILESC[C@H](CCC(=O)OC)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: Deoxycholic Acid Impurity 69, GISKXNLBBXFRDO-JMCMSBJXSA-N, Methyl 3alpha-acetoxy-5beta-chol-9(11), 16-dien-24-oate, Methyl 3alpha-acetoxy-5beta-chol-9(11),16-dien-24-oate
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate C27H40O4
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate C27H40O4