Basic information
- CAS
64282-57-1- Standard SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]3CCC(O)[C@@]3(C)CC[C@@]12C- InChIKey
HMLQBEFBAGSGDG-QXIVHVQISA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.24023026
Names & identifiers
- Preferred name
- (5alpha)-17-Hydroxyandrostan-3-one
- IUPAC
- (5S,8R,9S,10S,13S,14S)-17-hydroxy-9,10,13-trimethyl-2,4,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
DTXSID20859451(5alpha)-17-Hydroxyandrostan-3-one17-Hydroxy-9-methyl-5alpha,8alpha-androstan-3-one64282-57-1
Database identifiers
- CAS
64282-57-1- PubChem CID
- 165367679
- DTXSID
DTXSID20859451
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…