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

*Links on SpectraBase are not permalinks.
Cholestane, 3-methoxy-, (3.alpha.,5.alpha.)-
SpectraBase Compound ID 2qGBJJ1CbLv
InChI InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey FMSSVYNONQQPON-UIALXTEESA-N
Mol Weight 402.7 g/mol
Molecular Formula C28H50O
Exact Mass 402.386166 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 FCWDiw7CXBn
Name Cholestane, 3-methoxy-, (3.alpha.,5.alpha.)-
CAS Registry Number 2569-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O
InChI InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey FMSSVYNONQQPON-UIALXTEESA-N
Molecular Weight 402.707 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-05mk-7961100000-88384d4a0fe26393c013
Source of Spectrum SD-1981-0-0
Synonyms (3alpha,5alpha)-3-methoxycholestane 3.alpha.-Methoxy-5.alpha.-cholestane 5.alpha.-Cholestane, 3.alpha.-methoxy-
Wiley ID 57408