Cholanic acid

HCID 9548797

Substructure search Find similar structures

Basic information

CAS: 25312-65-6
Standard SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: RPKLZQLYODPWTM-KBMWBBLPSA-N
Molecular formula: C24H40O2
Average molar mass: 360.6 g/mol
Monoisotopic mass: 360.30283052

Overview

Cholanic acid is a steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24.

Names & identifiers

Preferred name: Cholanic acid
IUPAC: (4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
English name: CHOLANIC ACID
Molecular formula: C24H40O2
Molecular weight: 360.57

Names & synonyms

Cholanic acidCholan-24-oic acid25312-65-6NS0L7RS7DA5 beta-cholan-24-oic acidCHEBI:36237DTXSID70871345RefChem:125607DTXCID001506336246-816-2Cholanoic acid(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Show more names

UNII-NS0L7RS7DACholan-24-oic acid, (5.beta.)-NSC 18161CholansA currencyureEINECS 246-816-2CHOLANIC ACID [MI]9012-87-7SCHEMBL190519