5β-Cholanic acid-3α-ol-12-one acetate methyl ester

CAS

5143-55-5

Catalog Number

ACM5143555

Category

Steroidal Compounds

Molecular Weight

446.62

Molecular Formula

C₂₇H₄₂O₅

MSDS COA Spec Sheet

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Specification

Synonyms

METHYL ACETOXYKETOCHOLANATE;METHYL-3-ALPHA-ACETOXY-12-KETOCHOLANATE;5BETA-CHOLANIC ACID-3ALPHA-OL-12-ONE 3-ACETATE METHYL ESTER;5-BETA-CHOLANIC ACID-3-ALPHA-OL-12-ONE ACETATE METHYL ESTER;12-KETOLITHOCHOLIC ACID ACETATE, METHYL ESTER;3α-Acetoxy-12-oxo-5β

IUPAC Name

methyl(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C

InChI Key

XHQVLSIVZIPGLE-KXKMLXBFSA-N