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

View entire compound with spectra: 1 MS (GC)

Cholestan-3-ol, difluoroacetate, (3.beta.,5.alpha.)-
SpectraBase Compound ID EIm2P5Jrekl
InChI InChI=1S/C29H48F2O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(33-27(32)26(30)31)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,28+,29-/m1/s1
InChIKey VHVBPGUTAVFAPW-WIQSOMLFSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H48F2O2
Exact Mass 466.362237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVpemEMn6Yd
Name Cholestan-3-ol, difluoroacetate, (3.beta.,5.alpha.)-
Alternate Name(s) (3beta,5alpha)-cholestan-3-yl difluoroacetate 2,2-Difluoroacetic 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 2,2-Difluoroacetic 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 difluoroacetate [(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]2,2-bis(fluoranyl)ethanoate [(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]2,2-difluoroacetate [(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]2,2-difluoroacetate 2,2-Difluoroacetic 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] 2,2-difluoroacetate [(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] 2,2-difluoroacetate [(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] 2,2-bis(fluoranyl)ethanoate
CAS Registry Number 97509-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48F2O2
InChI InChI=1S/C29H48F2O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(33-27(32)26(30)31)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,28+,29-/m1/s1
InChIKey VHVBPGUTAVFAPW-WIQSOMLFSA-N
Molecular Weight 466.698 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(C(F)F)=O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-03di-0109500000-aa901fa433df7556d342
Source of Spectrum F-45-6475-2
Wiley ID 1392042