Basic information
- Standard SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cl)CC[C@@H]12- InChIKey
AEXUFOOVAJKICO-PYRNVERNSA-N- Molecular formula
- C20H29ClO2
- Average molar mass
- 336.9 g/mol
Names & identifiers
- Preferred name
- 17beta-Chlorocarbonyl-5alpha-androstan-3-one
- IUPAC
- (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbonyl chloride
Names & synonyms
AEXUFOOVAJKICO-PYRNVERNSA-N17beta-chlorocarbonyl-5alpha-androstan-3-one
Database identifiers
- PubChem CID
- 86733147
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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