11Beta-hydroxy-5alpha-androstan-17-one
Basic information
- CAS
7152-51-4- Standard SMILES
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@@H]12- InChIKey
GATQSSNSIBFJTG-CUGOLFLRSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Overview
11beta-Hydroxy-5alpha-androstan-17-one is an androstanoid.
Names & identifiers
- Preferred name
- 11Beta-hydroxy-5alpha-androstan-17-one
- IUPAC
- (5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
11Beta-hydroxy-5alpha-androstan-17-one7152-51-4(5R,8S,9S,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-oneSCHEMBL6839452CHEBI:79457DTXSID60280987NSC19610NSC-19610Q27148521
Database identifiers
- CAS
7152-51-4- PubChem CID
- 227669
- DTXSID
DTXSID60280987- ChEBI
CHEBI:79457- Nikkaji
- J2.790.735K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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