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Cholestan-3-ol, 4,14-dimethyl-, (3.beta.,4.alpha.,5.alpha.)-
SpectraBase Compound ID Axlt6B8HCRg
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+/m1/s1
InChIKey CGWCZSZTUFHPTC-HRXCMMJZSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sJ3ct5VEXW
Name Cholestan-3-ol, 4,14-dimethyl-, (3.beta.,4.alpha.,5.alpha.)-
CAS Registry Number 38400-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+/m1/s1
InChIKey CGWCZSZTUFHPTC-HRXCMMJZSA-N
Molecular Weight 416.734 g/mol
SMILES O[C@@]1([C@]([C@@]2(CC[C@]3([C@]4([C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)C)[H])[H])(C)[H])[H]
SPLASH splash10-03dl-0390200000-dc86549e557e5a3822b8
Source of Spectrum AJ-59-1774-48
Synonyms Eucalanol, 24-demethyl- (3beta,4alpha,5alpha)-4,14-dimethylcholestan-3-ol 29-Norlanostan-3.beta.-ol
Wiley ID 1376718