(3R,5S,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Basic information
- CAS
32212-64-9- Standard SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
FNICIUSFFWRLFW-YZFISVISSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
Names & identifiers
- Preferred name
- (3R,5S,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- IUPAC
- (3R,5S,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- English name
- 5ALPHA-Androstane-3ALPHA,11B,17B-triol
- Molecular formula
- C19H32O3
- Molecular weight
- 308.46
Names & synonyms
32212-64-9Androstane-3,11,17-triol #FNICIUSFFWRLFW-YZFISVISSA-N5alpha-ANDROSTAN-3alpha, 11beta, 17beta-TRIOL5.alpha.-Androstane, 3.alpha., 11.beta., 17.beta.-trihydroxy-5α-Androstane-3α,11β,17β-triol5ALPHA-Androstane-3ALPHA,11B,17B-triolAndrostane-3,11,17-triol, (3α,5α,11β,17β)-
Database identifiers
- CAS
32212-64-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Chemistry & industry
Applications
Uses5α-Androstane-3α,11β,17β-triol is a potetnt inhibitor of gonadotropin secretion.
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Related reactions
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Compound notes
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