Basic information
- Standard SMILES
CC(C)(O)CCSCC1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C- InChIKey
VVMBAXCLKGNAJO-MUOFFRQRSA-N- Molecular formula
- C25H38O3S
- Average molar mass
- 418.6 g/mol
Names & identifiers
- Preferred name
- 1alpha,3beta-Dihydroxy-17-(3-hydroxy-3-methylbutylthiomethyl)androsta-5,7,16-triene
- IUPAC
- (1S,3R,9S,10R,13S,14S)-17-[(3-hydroxy-3-methylbutyl)sulfanylmethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Names & synonyms
SCHEMBL5998200VVMBAXCLKGNAJO-MUOFFRQRSA-N1alpha,3beta-dihydroxy-17-(3-hydroxy-3-methylbutylthiomethyl)androsta-5,7,16-triene
Database identifiers
- PubChem CID
- 69630596
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 751
Related reactions
1 records
Compound notes
Loading…