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

*Links on SpectraBase are not permalinks.
beta-Sitosterol TMS
SpectraBase Compound ID GcM5GS7Dpdc
InChI InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23?,24?,26-,27-,28+,29-,30-,31-,32+/m0/s1
InChIKey XEWVATFZTBNDCF-DIEUKBIASA-N
Mol Weight 486.9 g/mol
Molecular Formula C32H58OSi
Exact Mass 486.425693 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 8FkjvrSVIzA
Name beta-Sitosterol TMS
CAS Registry Number 2625-46-9
Classification Phytosterine derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 486.425693022 u
Formula C32H58OSi
InChI InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23?,24?,26-,27-,28+,29-,30-,31-,32+/m0/s1
InChIKey XEWVATFZTBNDCF-DIEUKBIASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 486.900 g/mol
Nominal Mass 486 u
Quality 885
Retention Index 3571
SMILES [C@]12([C@]([C@]3([C@@]([C@@](C(CCC(C(C)C)CC)C)(CC3)[H])(CC1)C)[H])(CC=C1[C@@]2(CC[C@@](C1)(O[Si](C)(C)C)[H])C)[H])[H]
SPLASH splash10-056s-6924000000-320fbc4f4dbb09e9e9c4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (((1S,3aR,3bR,7R,9aS,9bR,11aS)-1-((2R)-5-Ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-2,3,3a,3b, \r4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane
Technique GC/MS
Wiley ID DD2024_029625