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CHOLESTERIN STEARATE

View entire compound with spectra: 3 MS (GC)

CHOLESTERIN STEARATE
SpectraBase Compound ID 1umZiBfjmKR
InChI InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3
InChIKey XHRPOTDGOASDJS-UHFFFAOYSA-N
Mol Weight 653.1 g/mol
Molecular Formula C45H80O2
Exact Mass 652.615832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YZ8DpeyLcl
Name CHOLESTERIN STEARATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H80O2
InChI InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3
InChIKey XHRPOTDGOASDJS-UHFFFAOYSA-N
Molecular Weight 652.6138
SMILES C1(OC(CCCCCCCCCCCCCCCCC)=O)CC2=CCC3C(CCC4(C)C(C(C)CCCC(C)C)CCC34)C2(C)CC1
SPLASH splash10-052f-9711000000-ddf2b5a87a430bf77e70
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany