Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
Basic information
- CAS
62654-06-2- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCC(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
KOVRJXLBYGVOHW-OHPSOFBHSA-N- Molecular formula
- C30H47F3O3
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.34772984
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroethyl carbonate
Names & synonyms
Cholest-5-en-3-ol (3beta)-, 2,2,2-trifluoroethyl carbonate62654-06-2Cholest-5-en-3-ol (3beta)-, 3-(2,2,2-trifluoroethyl carbonate)RefChem:333934Cholest-5-en-3-ol (3.beta.)-, 3-(2,2,2-trifluoroethyl carbonate)Carbonic acid 2,2,2-trifluoroethyl cholest-5-en-3beta-yl esterSCHEMBL11679007KOVRJXLBYGVOHW-OHPSOFBHSA-NDB-220254
Database identifiers
- CAS
62654-06-2- PubChem CID
- 112905
- Nikkaji
- J429.468H
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 821
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-(2,2,2-trifluoroethyl carbonate): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…