5-Cholestene-3beta,12alpha-diol
Basic information
- CAS
566-46-1- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
DDKSQIWASYXGKZ-XWXSNNQWSA-N- Molecular formula
- C27H46O2
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 402.34978071
Names & identifiers
- Preferred name
- 5-Cholestene-3beta,12alpha-diol
- IUPAC
- (3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
- English name
- 5-cholestene-3 beta,12 alpha-diol
- Molecular formula
- C27H46O2
- Molecular weight
- 402.65
Names & synonyms
5-Cholestene-3beta,12alpha-diol566-46-15-Cls-3,12-DLCholest-5-ene-3beta,12alpha-diolCholest-5-ene-3,12-diol, (3beta,12alpha)-(3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diolCholest-5-ene-3,12-diolSCHEMBL6393372DTXSID609720375-cholestene-3 beta,12 alpha-diolCholest-5-ene-3,12-diol, (3β,12α)-
Database identifiers
- CAS
566-46-1- PubChem CID
- 6453370
- DTXSID
DTXSID60972037
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
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Compound notes
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