Basic information
- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)(Cl)Cl)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
BNROTABBWHVRIA-HWQOIDLUSA-N- Molecular formula
- C23H31Cl3O4
- Average molar mass
- 477.8 g/mol
Names & identifiers
- Preferred name
- 3alpha-Trichloroacetoxy-5alpha-pregnane-11,20-dione
- IUPAC
- [(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2,2,2-trichloroacetate
Names & synonyms
BNROTABBWHVRIA-HWQOIDLUSA-N3alpha-Trichloroacetoxy-5alpha-pregnane-11,20-dione
Database identifiers
- PubChem CID
- 86733320
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 762
Related reactions
1 records
Compound notes
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