For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cholestan-3-ol, 3,3,3-trifluoropropanoate, (3.beta.,5.alpha.)-

View entire compound with spectra: 1 MS (GC)

Cholestan-3-ol, 3,3,3-trifluoropropanoate, (3.beta.,5.alpha.)-
SpectraBase Compound ID 79WiRtWKOHS
InChI InChI=1S/C30H49F3O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(35-27(34)18-30(31,32)33)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HAYFBDKSGWWVIB-DVNBGNEZSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H49F3O2
Exact Mass 498.368465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID tfz5mS9Vds
Name Cholestan-3-ol, 3,3,3-trifluoropropanoate, (3.beta.,5.alpha.)-
Alternate Name(s) (3beta,5alpha)-cholestan-3-yl 3,3,3-trifluoropropanoate 3,3,3-trifluoropropanoic acid[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester 3,3,3-trifluoropropionic acid[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Cholestanyl 3,3,3-trifluoropropanoate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]3,3,3-trifluoropropanoate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]3,3,3-tris(fluoranyl)propanoate [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]3,3,3-trifluoropropanoate 3,3,3-trifluoropropanoic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3,3-trifluoropropanoate [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3,3-trifluoropropanoate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3,3-tris(fluoranyl)propanoate
CAS Registry Number 97509-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49F3O2
InChI InChI=1S/C30H49F3O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(35-27(34)18-30(31,32)33)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HAYFBDKSGWWVIB-DVNBGNEZSA-N
Molecular Weight 498.715 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(CC(F)(F)F)=O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-05mn-8597300000-3be6142ff257c1c9aa29
Source of Spectrum F-45-6475-3
Wiley ID 1398619