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

View entire compound with spectra: 1 MS (GC)

Cholestan-3-ol, pentafluoropropanoate, (3.beta.,5.alpha.)-
SpectraBase Compound ID Xg0HTUppu1
InChI InChI=1S/C30H47F5O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(37-26(36)29(31,32)30(33,34)35)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1
InChIKey IPXMWSYJBPUDBR-AYPRRHFASA-N
Mol Weight 534.7 g/mol
Molecular Formula C30H47F5O2
Exact Mass 534.349622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hcobTtn4Cp
Name Cholestan-3-ol, pentafluoropropanoate, (3.beta.,5.alpha.)-
CAS Registry Number 97546-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H47F5O2
InChI InChI=1S/C30H47F5O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(37-26(36)29(31,32)30(33,34)35)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1
InChIKey IPXMWSYJBPUDBR-AYPRRHFASA-N
Molecular Weight 534.696 g/mol
SMILES C(C(O[C@@]1(C[C@@]2(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])[H])=O)(C(F)(F)F)(F)F
SPLASH splash10-003r-9008050000-7dcab088b6091d9bef70
Source of Spectrum F-45-6473-1
Synonyms (3beta,5alpha)-cholestan-3-yl 2,2,3,3,3-pentafluoropropanoate 2,2,3,3,3-pentafluoropropanoic 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 2,2,3,3,3-pentafluoropropionic 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 pentafluoropentanoate Cholestanyl pentafluoropropanoate [(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]2,2,3,3,3-pentafluoropropanoate [(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]2,2,3,3,3-pentakis(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]2,2,3,3,3-pentafluoropropanoate 2,2,3,3,3-pentafluoropropanoic 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] 2,2,3,3,3-pentafluoropropanoate [(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] 2,2,3,3,3-pentafluoropropanoate [(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] 2,2,3,3,3-pentakis(fluoranyl)propanoate
Wiley ID 1403839