Basic information
- CAS
2836-93-3- Standard SMILES
CC(=O)OC(=CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F- InChIKey
WBOCSECWRUWDNA-MKPDMXAPSA-N- Molecular formula
- C27H35F3O5
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.2436587
Names & identifiers
- Preferred name
- [(3S,8S,9S,10R,13S,14S,17S)-17-(3-acetyloxy-4,4,4-trifluorobut-2-enoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [(3S,8S,9S,10R,13S,14S,17S)-17-(3-acetyloxy-4,4,4-trifluorobut-2-enoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Database identifiers
- CAS
2836-93-3- PubChem CID
- 239772
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 966
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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