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Basic information
- Standard SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C- InChIKey
BHQCQFFYRZLCQQ-UHFFFAOYSA-N- Molecular formula
- C24H40O5
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.28757437
Names & identifiers
- Preferred name
- Ox bile extract
- IUPAC
- 4-(3,7,12-trihydroxy-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-(3,7,12-trihydroxy-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 acid4-(3,7,12-trihydroxy-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 acidRefChem:8570023,7,12-Trihydroxycholan-24-oic acidcholan-24-oic acid, 3,7,12-trihydroxy-Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-CholeinsaureNSC6579473,7,12-Trihydroxy-cholan-24-oic acidBile salt from porcineCholic acidfrom ox bile12?-Hydroxyisocholic acid
Show more names
3?,5?-Cholic acid-d5Oprea1_3881723.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acidMLS001240272SCHEMBL171402BHQCQFFYRZLCQQ-UHFFFAOYSA-NDTXSID201334862HMS1678A18
Database identifiers
- PubChem CID
- 303
- DTXSID
DTXSID201334862
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
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