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Cholesteryl stearate

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

Cholesteryl stearate
SpectraBase Compound ID DE3QehNBSvi
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/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey XHRPOTDGOASDJS-XNTGVSEISA-N
Mol Weight 653.1 g/mol
Molecular Formula C45H80O2
Exact Mass 652.615832 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8pvXKVVff7H
Name Cholesteryl stearate
Source of Sample Applied Science Laboratories, Inc., State College, Pennsylvania
CAS Registry Number 35602-69-8
Copyright Copyright © 1980, 1981-2024 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/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey XHRPOTDGOASDJS-XNTGVSEISA-N
Molecular Weight 653.132996
Synonyms OCTADECANOIC ACID, CHOLESTERYL ESTER STEARIC ACID, CHOLESTERYL ESTER CHOLESTEROL, STEARATE CHOLESTERYL STEARATE
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)