[(5S,8R,9S,10S,13S,14S,17S)-2-(1-acetyloxy-2,2,2-trifluoroethyl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Basic information
- CAS
2413-57-2- Standard SMILES
CC(=O)OC(C1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)CC1=O)C(F)(F)F- InChIKey
BCFJZDVCVPIQHL-RJHRFABESA-N- Molecular formula
- C25H35F3O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.2436587
Names & identifiers
- Preferred name
- [(5S,8R,9S,10S,13S,14S,17S)-2-(1-acetyloxy-2,2,2-trifluoroethyl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [(5S,8R,9S,10S,13S,14S,17S)-2-(1-acetyloxy-2,2,2-trifluoroethyl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
2413-57-2NSC45242DTXSID20946951NSC-452421-[17-(acetyloxy)-3-oxoandrostan-2-yl]-2,2,2-trifluoroethyl acetate1-[17beta-(Acetyloxy)-3-oxo-5alpha-androstan-2-yl]-2,2,2-trifluoroethyl acetate
Database identifiers
- CAS
2413-57-2- PubChem CID
- 239769
- DTXSID
DTXSID20946951
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 825
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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