| SpectraBase Compound ID | IvTG4XFRRIc |
|---|---|
| InChI | InChI=1S/C45H76O2/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/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | NAACPBBQTFFYQB-LJAITQKLSA-N |
| Mol Weight | 649.1 g/mol |
| Molecular Formula | C45H76O2 |
| Exact Mass | 648.584532 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C3aDgLfpFGh |
|---|---|
| Name | Cholesteryl linoleate |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | C0289 |
| Lot Number | SLBF0082V |
| CAS Registry Number | 604-33-1 |
| Classification | cholesterol type |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H76O2 |
| InChI | InChI=1S/C45H76O2/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/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChIKey | NAACPBBQTFFYQB-LJAITQKLSA-N |
| Molecular Weight | 649.101 g/mol |
| Purity | >98% |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sample Description | white powder |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 3β-Hydroxy-5-cholestene 3-linoleate; 5-Cholesten-3β-ol 3-linoleate; Cholesteryl 9,12-octadecadienoate; Cholesteryl octadecadienoate |
| Technique | FT-Raman |