Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)-
Basic information
- CAS
53512-53-1- Standard SMILES
C[C@]12CC[C@@H](O)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
HMFQSUMWKTYRNZ-FDBFDOPYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)-
- IUPAC
- (3R,5S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione
- English name
- 3α-Hydroxy-5α-androstane-6,17-dione
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
HMFQSUMWKTYRNZ-FDBFDOPYSA-NAndrostane-6,17-dione, 3-hydroxy-, (3.alpha.,5.alpha.)-3-Hydroxyandrostane-6,17-dione #Androstane-6,17-dione, 3-hydroxy-, (3α,5α)-
Database identifiers
- CAS
53512-53-1- PubChem CID
- 13252877
- Nikkaji
- J139.603J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
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Related reactions
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Compound notes
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