Basic information
- CAS
2194-21-0- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)C(CC(F)(F)F)C[C@@H]32)C1- InChIKey
ZSYUPDORWXUGGF-YNKHKVQFSA-N- Molecular formula
- C23H33F3O3
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.2381794
Names & identifiers
- Preferred name
- [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-16-(2,2,2-trifluoroethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-16-(2,2,2-trifluoroethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
2194-21-0NSC45235DTXSID40944535NSC-4523517-Oxo-16-(2,2,2-trifluoroethyl)androstan-3-yl acetate17-Oxo-16-(2,2,2-trifluoroethyl)-5alpha-androstan-3beta-yl acetate
Database identifiers
- CAS
2194-21-0- PubChem CID
- 239762
- DTXSID
DTXSID40944535
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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