| SpectraBase Compound ID | E6qf2oAIjSE |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | YIKKMWSQVKJCOP-ABXCMAEBSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BGB7fxGXCA1 |
|---|---|
| Name | 5-Cholesten-3β-ol-7-one |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | C2394 |
| Lot Number | 37F-0801 |
| CAS Registry Number | 566-28-9 |
| Cell Type | NMR tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | YIKKMWSQVKJCOP-ABXCMAEBSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 517 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | O[C@@]1(C\C2=C\C([C@]3([C@]4([C@](CC[C@@]3([C@]2(CC1)C)[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])=O)[H] |
| Scans Performed | 12224 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 7-Ketocholesterol |
| Technique | FT-Raman |