| SpectraBase Spectrum ID |
3WMeHVYRpZz |
| Name |
(22Z)-Cholesta-4,22-dien-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.323565971 u |
| Formula |
C27H42O |
| InChI |
InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,17-19,22-25H,7,9-16H2,1-5H3/b8-6+ |
| InChIKey |
NADSFPYUTGUROD-SOFGYWHQSA-N |
| Molecular Weight |
382.632 g/mol |
| SMILES |
CC(C)C\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87684 |
