1alpha,6-Dimethyl-5-androstene-3beta,17beta,19-triol
Basic information
- Standard SMILES
CC1=C2C[C@@H](O)C[C@H](C)[C@]2(CO)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]2C1- InChIKey
QJPYFFOIYQOQBD-YXRFDAOBSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
Names & identifiers
- Preferred name
- 1alpha,6-Dimethyl-5-androstene-3beta,17beta,19-triol
- IUPAC
- (1S,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-1,6,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
SCHEMBL11539429QJPYFFOIYQOQBD-YXRFDAOBSA-N1alpha,6-dimethyl-5-androstene-3beta,17beta,19-triol
Database identifiers
- PubChem CID
- 70606286
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
Related reactions
1 records
Compound notes
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