5β-Cholanic acid-3α,12α-diol 3-acetate methyl ester

CAS

27240-83-1

Catalog Number

ACM27240831

Category

Steroidal Compounds

Molecular Weight

448.64

Molecular Formula

C₂₇H₄₄O₅

MSDS COA Spec Sheet

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Specification

Synonyms

3-acetyl methyldeoxycholate; Methyl 3alpha-acetoxy-12alpha-hydroxycholanate; 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester; 3|A,12|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester; methyl deoxycholate-3-acetate; 5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester; 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester; Methyl 3|A-acetoxy-12|A-hydroxycholanate;

IUPAC Name

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

Canonical SMILES

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

InChI Key

FVYCOKNQUSFTBH-RFTNVYQZSA-N

Boiling Point

518.9ºC at 760 mmHg

Flash Point

161ºC

Density

1.1g/cm³

Exact Mass

448.31900