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Cholestane-2-ethanol, 3-hydroxy-, (2.alpha.,3.beta.,5.alpha.)-
SpectraBase Compound ID LnJmmBhWDxW
InChI InChI=1S/C29H52O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-27(31)21(14-16-30)18-29(22,5)26(23)13-15-28(24,25)4/h19-27,30-31H,6-18H2,1-5H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1
InChIKey WQOWCTJKAOBPBF-BQXLQTKJSA-N
Mol Weight 432.7 g/mol
Molecular Formula C29H52O2
Exact Mass 432.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5as2qYhdTGj
Name Cholestane-2-ethanol, 3-hydroxy-, (2.alpha.,3.beta.,5.alpha.)-
Alternate Name(s) 2-[(2alpha,3beta,5alpha)-3-hydroxycholestan-2-yl]ethanol 2.alpha.-(2'-hydroxyethyl)-5.alpha.-chlestan-3.beta.-ol
CAS Registry Number 114669-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O2
InChI InChI=1S/C29H52O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-27(31)21(14-16-30)18-29(22,5)26(23)13-15-28(24,25)4/h19-27,30-31H,6-18H2,1-5H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1
InChIKey WQOWCTJKAOBPBF-BQXLQTKJSA-N
Molecular Weight 432.733 g/mol
SMILES O[C@@]1(C[C@@]2(CC[C@@]3([C@@]([C@]2(C[C@]1(CCO)[H])C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-0api-0041900000-91df9c036f42c7a34a81
Source of Spectrum B-40-1097-3
Wiley ID 1382541