Basic information
- Standard SMILES
C[C@@H]1CC2=C[C@H](O)CC[C@]2(CO)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12- InChIKey
VHDGZNRQGZHPQF-ZGMVOIFJSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
Names & identifiers
- Preferred name
- 7alpha-Methyl-4-androstene-3alpha,17beta,19-triol
- IUPAC
- (3R,7R,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-7,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
SCHEMBL11423766VHDGZNRQGZHPQF-ZGMVOIFJSA-N7alpha-methyl-4-androstene-3alpha,17beta,19-triol
Database identifiers
- PubChem CID
- 70583285
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Related reactions
2 records
Compound notes
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