5α-Cholanic acid-3α-ol-6-one

CAS

10573-17-8

Catalog Number

ACM10573178

Category

Steroidal Compounds

Molecular Weight

390.56

Molecular Formula

C₂₄H₃₈O₄

MSDS COA Spec Sheet

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Specification

Synonyms

3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID;5-ALPHA-CHOLANIC ACID;5-ALPHA-CHOLANIC ACID-3-ALPHA-OL-6-ONE;ALLOCHOLANIC ACID;5-A-cholanic acid-3-A-ol-6-one;3α-Hydroxy-6-oxo-5α-cholan-24-oic acid

IUPAC Name

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

Canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C

InChI Key

JWZBXKZZDYMDCJ-NYGMMZBPSA-N

Boiling Point

545.9ºC at 760mmHg

Flash Point

298ºC

Density

1.124g/cm³

EC Number

234-159-4