5a-Androstan-3b,16a,17b-triol
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Basic information
- CAS
33995-19-6- Standard SMILES
C[C@]12CCC(O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)C(O)C[C@@H]12- InChIKey
CXGDRQWRJUSSAR-HONWYQEFSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- 5a-Androstan-3b,16a,17b-triol
- IUPAC
- (8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
- English name
- androstane-3,16,17-triol
- Molecular weight
- 0
Names & synonyms
Androstane-3,16,17-triol #SCHEMBL601530CXGDRQWRJUSSAR-HONWYQEFSA-N5a-Androstan-3b,16a,17b-triolandrostane-3,16,17-triol
Database identifiers
- CAS
33995-19-6- PubChem CID
- 169558
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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