Basic information
- CAS
66791-83-1- Standard SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](O)C[C@@H]12- InChIKey
HLQYTKUIIJTNHH-RWUIUEHLSA-N- Molecular formula
- C19H30O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.21949481
Names & identifiers
- Preferred name
- 16 Beta-hydroxyandrosterone
- IUPAC
- (3R,5S,8R,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- English name
- (3R,5S,8R,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- Molecular formula
- C19H30O3
- Molecular weight
- 306.44
Names & synonyms
Androstan-17-one, 3,16-dihydroxy-, (3alpha,5alpha,16beta)-16 Beta-hydroxyandrosteroneRefChem:9081893-alpha,16 beta-dihydroxyandrostan-17-one66791-83-116beta-Hydroxyandrosterone3,16-dihydroxyandrostan-17-one3-alpha,16beta-Dihydroxyandrostan-17-oneSCHEMBL1418641DTXSID709853553alpha,16beta-Dihydroxy-5alpha-androstan-17-oneAndrostan-17-one, 3,16-dihydroxy-, (3α,5α,16β)- (9CI)
Show more names
(3R,5S,8R,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Database identifiers
- CAS
66791-83-1- PubChem CID
- 191817
- DTXSID
DTXSID70985355
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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