5β-Cholanic acid-3α,12α-diol-7-one

CAS

911-40-0

Catalog Number

ACM911400

Category

Steroidal Compounds

Molecular Weight

406.56

Molecular Formula

C₂₄H₃₈O₅

MSDS COA Spec Sheet

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Specification

Synonyms

5-BETA-CHOLANIC ACID-3-ALPHA, 12-ALPHA-DIOL-7-ONE;7-KETODEOXYCHOLIC ACID;7-DEHYDROCHOLIC ACID;3,12-DIHYDROXY-7-OXOCHOLAN-24-OIC ACID;7-Keto-3alpha,12alpha-dihydroxycholanic acid;7-Keto-3α,12-α-dihydroxycholanic Acid

IUPAC Name

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

Canonical SMILES

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C

InChI Key

RHCPKKNRWFXMAT-RRWYKFPJSA-N

Boiling Point

583ºC at 760mmHg

Melting Point

54-60ºC

Flash Point

320.4ºC

Density

1.18g/cm³