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

*Links on SpectraBase are not permalinks.

.beta.-Sitosterol cerotate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.beta.-Sitosterol cerotate
SpectraBase Compound ID JjR6I3ZzBby
InChI InChI=1S/C55H100O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-53(56)57-48-39-41-54(6)47(43-48)35-36-49-51-38-37-50(55(51,7)42-40-52(49)54)45(5)33-34-46(9-2)44(3)4/h35,44-46,48-52H,8-34,36-43H2,1-7H3/t45-,46-,48+,49?,50-,51+,52+,54+,55-/m1/s1
InChIKey ADKULHNWRYTCMM-BNSIOBQDSA-N
Mol Weight 793.4 g/mol
Molecular Formula C55H100O2
Exact Mass 792.772332 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 7hIROg9dTG7
Name .beta.-Sitosterol cerotate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H100O2
InChI InChI=1S/C55H100O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-53(56)57-48-39-41-54(6)47(43-48)35-36-49-51-38-37-50(55(51,7)42-40-52(49)54)45(5)33-34-46(9-2)44(3)4/h35,44-46,48-52H,8-34,36-43H2,1-7H3/t45-,46-,48+,49?,50-,51+,52+,54+,55-/m1/s1
InChIKey ADKULHNWRYTCMM-BNSIOBQDSA-N
Molecular Weight 793.403 g/mol
SMILES C1[C@@](CC2=CCC3[C@]([C@@]2(C)C1)([H])CC[C@]1(C)[C@](CC[C@@]31[H])([C@](C)(CC[C@](C(C)C)(CC)[H])[H])[H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[H]
SPLASH splash10-052b-4019100100-f0dbbca0b58ab72bf229
Source of Spectrum Y1-42B-1-1
Synonyms (3S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl hexacosanoate
Wiley ID 1744213