Androsterone 3-benzoate
Basic information
- CAS
5953-69-5- Standard SMILES
C[C@]12CC[C@@H](OC(=O)c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
KNDUBESZKGHTSA-CJVRWNGOSA-N- Molecular formula
- C26H34O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25079494
Overview
RN given refers to (17beta)-isomer
Names & identifiers
- Preferred name
- Androsterone 3-benzoate
- IUPAC
- [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] benzoate
Names & synonyms
Androsterone 3-benzoate5953-69-5RefChem:112652(3 alpha,5 alpha)-3-(benzoyloxy)androstan-17-oneAndrosterone, benzoateSCHEMBL60363017-Oxoandrostan-3-yl benzoateDTXSID10974940KNDUBESZKGHTSA-CJVRWNGOSA-N17-Oxo-5alpha-androstan-3alpha-yl benzoate5alpha-Androstan-3alpha-ol-17-one benzoate3.alpha.-Benzoyloxy-5.alpha.-androstan-17-one
Show more names
(3alpha,5alpha)-3-(Benzoyloxy)androstan-17-oneAndrostan-17-one, 3-(benzoyloxy)-, (3alpha,5alpha)-Androstan-17-one, 3-(benzoyloxy)-, (3.alpha.,5.alpha.)-
Database identifiers
- CAS
5953-69-5- PubChem CID
- 111115
- DTXSID
DTXSID10974940- Nikkaji
- J1.355.166I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 665
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Related reactions
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Compound notes
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