5β-Cholanic acid-3α,6α-diol methyl ester

CAS

2868-48-6

Catalog Number

ACM2868486

Category

Steroidal Compounds

Molecular Weight

406.6

Molecular Formula

C₂₅H₄₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

3|A,6|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester; 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester; Hyodeoxycholic acid methyl ester; Hyodeoxycholic Acid Methyl Ester; methyl hyodeoxycholanoate;

IUPAC Name

methyl(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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(CCC3C2CC(C4C3(CCC(C4)O)C)O)C

InChI Key

BWDRDVHYVJQWBO-QWXHOCAMSA-N

Boiling Point

507.6ºC at 760 mmHg

Flash Point

162.1ºC

Density

1.089g/cm³

EC Number

608-235-6