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Cholestan-3-ol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate, (3.beta.,5.alpha.)-

View entire compound with spectra: 1 MS (GC)

Cholestan-3-ol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate, (3.beta.,5.alpha.)-
SpectraBase Compound ID 73H6QArIMO1
InChI InChI=1S/C35H49F13O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-28(21,4)26(23)14-16-29(24,25)5)50-27(49)18-30(36,37)31(38,39)32(40,41)33(42,43)34(44,45)35(46,47)48/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HJSGYPGDBWNLKP-DVNBGNEZSA-N
Mol Weight 748.8 g/mol
Molecular Formula C35H49F13O2
Exact Mass 748.352497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn43bgyZgA9
Name Cholestan-3-ol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate, (3.beta.,5.alpha.)-
CAS Registry Number 127392-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H49F13O2
InChI InChI=1S/C35H49F13O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-28(21,4)26(23)14-16-29(24,25)5)50-27(49)18-30(36,37)31(38,39)32(40,41)33(42,43)34(44,45)35(46,47)48/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HJSGYPGDBWNLKP-DVNBGNEZSA-N
Molecular Weight 748.754 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CC(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)(F)F)(F)F)(F)F
SPLASH splash10-0aos-9340000100-9ba8ea9c8fcf1d56cedf
Source of Spectrum F-45-6478-3
Synonyms (3beta,5alpha)-cholestan-3-yl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorocaprylic 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 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic 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 Cholestanyl 2,2-dihydroperfluorooctanoate [(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]3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate [(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]3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octanoate [(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]3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic 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] 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate [(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] 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate [(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] 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octanoate
Wiley ID 1416282