17-Hydroxy-17-methylestran-3-one
Basic information
- CAS
1962-94-3- Standard SMILES
CC12CCC3C4CCC(=O)CC4CCC3C1CC[C@]2(C)O- InChIKey
MDXRCPMWSFWIEZ-NPNAMQDPSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- 17-Hydroxy-17-methylestran-3-one
- IUPAC
- (17S)-17-hydroxy-13,17-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
17-Hydroxy-17-methylestran-3-one1962-94-3DTXSID4094138717alpha-Hydroxy-17beta-methylestran-3-one
Database identifiers
- CAS
1962-94-3- PubChem CID
- 16067
- DTXSID
DTXSID40941387
Properties
Computed structural properties
- XLogP
- 3.6
- 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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Compound notes
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