| SpectraBase Spectrum ID |
9lmoIoTIfz3 |
| Name |
4,16-Cholestdiene 21.xi-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.344301417 u |
| Formula |
C27H44 |
| InChI |
InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,14,19-20,22,24-25H,6-10,12-13,15-18H2,1-5H3 |
| InChIKey |
MPGBVZUINCYNIC-UHFFFAOYSA-N |
| Molecular Weight |
368.649 g/mol |
| SMILES |
C1CCC2(C(=C1)CCC1C2CCC2(C1CC=C2C(C)CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95575 |
