Androstan-3-one, (5b)-
Basic information
- CAS
18069-68-6- Standard SMILES
C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]1CC2- InChIKey
VMNRNUNYBVFVQI-PFFQMSPKSA-N- Molecular formula
- C19H30O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.22966558
Names & identifiers
- Preferred name
- Androstan-3-one, (5b)-
- IUPAC
- (5R,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- English name
- 5B-Androstan-3-one
- Molecular formula
- C19H30O
- Molecular weight
- 274.44
Names & synonyms
Androstan-3-one, (5b)-18069-68-6DTXSID20427578(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-oneRefChem:319559DTXCID403784125beta-Androstan-3-one5beta-androstane-3-oneSCHEMBL9541973VMNRNUNYBVFVQI-PFFQMSPKSA-N5B-Androstan-3-one
Show more names
5β-ANDROSTAN-3-ONEAndrostan-3-one, (5β)-
Database identifiers
- CAS
18069-68-6- PubChem CID
- 7052903
- DTXSID
DTXSID20427578- Nikkaji
- J82.712F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 59 · 59-61 °C
- Boiling point
- 368.5 · 368.5±10.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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