Cholest-7-en-6-one, 2,3,14,20,22,24,25-heptahydroxy-, (2beta,3beta,5beta,22R)-
Basic information
- CAS
31385-31-6- Standard SMILES
CC(C)(O)C(O)C[C@@H](O)[C@](C)(O)C1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
NXKBQUXBPMOHPK-WGAQZLCFSA-N- Molecular formula
- C27H44O8
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.30361836
Names & identifiers
- Preferred name
- Cholest-7-en-6-one, 2,3,14,20,22,24,25-heptahydroxy-, (2beta,3beta,5beta,22R)-
- IUPAC
- (2S,3R,5R,9R,10R,13R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Names & synonyms
PterasteroneCholest-7-en-6-one, 2,3,14,20,22,24,25-heptahydroxy-, (2beta,3beta,5beta,22R)-31385-31-6
Database identifiers
- CAS
31385-31-6- PubChem CID
- 169296
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 902
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Compound notes
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