Basic information
- CAS
516-73-4- Standard SMILES
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C- InChIKey
SMEROWZSTRWXGI-UHFFFAOYSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.29774514
Overview
3-Hydroxycholan-24-oic acid has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 4-(3-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)pentanoic acid
- IUPAC
- 4-(3-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)pentanoic acid
Names & synonyms
4-(3-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)pentanoic acid516-73-43|A-Hydroxy-5|A-cholanic acidLithocholic?AcidCholan-24-oic acid, 3-hydroxy-, (3.alpha.,5.beta.)-Oprea1_806275SCHEMBL75701DTXSID708593653I<<-Hydroxy-5EC-cholanic acidHMS5082B15CAA27694Urosodeoxycholic Acid EP Impurity T
Show more names
s40034-{7-Hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acidFH179942LS-15076Isolithocholic acid (beta-Lithocholic acid)?L0008204a{7aHydroxya9a,11aadimethylahexadecahydroa1Ha cyclopenta[a]phenanthrena1ayl}pentanoic acid
Database identifiers
- CAS
516-73-4- PubChem CID
- 500165
- DTXSID
DTXSID70859365
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Related reactions
6 records
Compound notes
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