3-Hydroxychol-2-en-24-oic acid
Basic information
- CAS
69941-28-2- Standard SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
HULQGYPWEGNXPA-PBDHEXIJSA-N- Molecular formula
- C24H38O3
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.28209507
Names & identifiers
- Preferred name
- 3-Hydroxychol-2-en-24-oic acid
- IUPAC
- (4R)-4-[(8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- English name
- 3 beta-hydroxychol-3-en-24-oic acid
- Molecular weight
- 0
Names & synonyms
69941-28-23-hydroxychol-2-en-24-oic aciddelta(3)-Cholenic acid3beta-Hydroxy-3-cholenic acidCholen-24-oic acid, hydroxy-SCHEMBL4351606DTXSID309902083beta-Hydroxychol-3-en-24-oic acid3 beta-hydroxychol-3-en-24-oic acid
Database identifiers
- CAS
69941-28-2- PubChem CID
- 129676
- DTXSID
DTXSID30990208
Properties
Computed structural properties
- XLogP
- 6.6
- 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
- 625
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Related reactions
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Compound notes
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