Basic information
- Standard SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]4(F)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1- InChIKey
XDXVEXNGOFMJPT-DEDSCJHTSA-N- Molecular formula
- C23H33Cl2FO3
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- 3beta-Acetoxy-5alpha,6beta-dichloro-14alpha-fluoropregnan-20-one
- IUPAC
- [(3S,5R,6R,8R,9S,10R,13R,14R,17S)-17-acetyl-5,6-dichloro-14-fluoro-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
SCHEMBL11351820XDXVEXNGOFMJPT-DEDSCJHTSA-N3beta-acetoxy-5alpha,6beta-dichloro-14alpha-fluoropregnan-20-one
Database identifiers
- PubChem CID
- 70569449
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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