| SpectraBase Spectrum ID |
GIiadOey2qg |
| Name |
4-oxa-5,10-Secocholest-1(10)-en-5-one, (1Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-18(2)8-6-9-20(4)23-12-13-24-22-11-14-25(27)28-17-7-10-19(3)21(22)15-16-26(23,24)5/h10,18,20-24H,6-9,11-17H2,1-5H3/b19-10-/t20-,21-,22-,23-,24+,26-/m1/s1 |
| InChIKey |
JBDLGHAFHOQHEA-YIESADSKSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC(OCC\C=C/([C@]3(CC2)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955263 |
