Basic information
- Standard SMILES
C[C@]12CC[C@H](OC(=O)C(F)(F)F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C(F)(F)F)CC[C@@H]12- InChIKey
NXQFDYRIAIABNB-JELYZVLYSA-N- Molecular formula
- C23H30F6O4
- Average molar mass
- 484.5 g/mol
Names & identifiers
- Preferred name
- 3beta, 17beta-Di(trifluoroacetoxy)-5alpha-androstane
- IUPAC
- [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2,2,2-trifluoroacetyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate
Names & synonyms
3beta, 17beta-di(trifluoroacetoxy)-5alpha-androstaneSCHEMBL11361411
Database identifiers
- PubChem CID
- 86734962
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 795
Related reactions
2 records
Compound notes
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