For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholestan-2-ol, 3,3-dimethoxy-, (2.alpha.,5.alpha.)-
SpectraBase Compound ID 51ej9HrZZmh
InChI InChI=1S/C29H52O3/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-29(31-6,32-7)26(30)18-28(21,5)25(22)15-16-27(23,24)4/h19-26,30H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey JLFRIFMYCAZFKI-JPOBPWGRSA-N
Mol Weight 448.7 g/mol
Molecular Formula C29H52O3
Exact Mass 448.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lv48LRNclXf
Name Cholestan-2-ol, 3,3-dimethoxy-, (2.alpha.,5.alpha.)-
CAS Registry Number 130530-49-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O3
InChI InChI=1S/C29H52O3/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-29(31-6,32-7)26(30)18-28(21,5)25(22)15-16-27(23,24)4/h19-26,30H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey JLFRIFMYCAZFKI-JPOBPWGRSA-N
Molecular Weight 448.732 g/mol
SMILES O[C@@]1(C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1(OC)OC)[H])[H])C)[H]
SPLASH splash10-004i-0900300000-a7f90bb89b6000d2be65
Source of Spectrum KC-1990-1243-11
Synonyms (2alpha,5alpha)-3,3-dimethoxycholestan-2-ol 3,3-Dimethoxy-5.alpha.-cholestan-2.alpha.-ol
Wiley ID 1387349