Basic information
- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O- InChIKey
BRDLKOCJBBBWRY-ACJJDMNUSA-N- Molecular formula
- C19H30O3
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- 4-Androstene-3beta,17beta,19-triol
- IUPAC
- (3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
SCHEMBL11431804BRDLKOCJBBBWRY-ACJJDMNUSA-N4-androstene-3beta,17beta,19-triolAndrost-4-ene-3beta,17beta,19-triol
Database identifiers
- PubChem CID
- 70584792
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
Related reactions
3 records
Compound notes
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