Basic information
- Standard SMILES
C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C=O)[C@H]3CC[C@@]21C- InChIKey
UDOCWYFEPWXCMB-RPZLJYRGSA-N- Molecular formula
- C20H26O3
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 17beta-Hydroxy-17alpha-methyl-4,6-androstadiene-3,19-dione
- IUPAC
- (8S,9S,10S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
SCHEMBL11423835UDOCWYFEPWXCMB-RPZLJYRGSA-N17beta-hydroxy-17alpha-methyl-4,6-androstadiene-3,19-dione
Database identifiers
- PubChem CID
- 86735693
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 633
Related reactions
7 records
Compound notes
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