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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 7QBWqGEEddN
Name Cholesteryl stearate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Ionization Type EI-B
Molecular Weight 653.133 g/mol
SMILES C(OC1CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-3911000000-c20be6d83f88a7323d99
Source of Spectrum SRH-2022-3480-0
Wiley ID 1825761