| SpectraBase Spectrum ID |
BU7GjJF5zpz |
| Name |
(8'Z)-6-Hepatadeca-8'-enyl)thymoquinone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(4)26(28)21-25(22(2)3)27(24)29/h12-13,21-22H,5-11,14-20H2,1-4H3/b13-12- |
| InChIKey |
OOMRIGSIPNKCSK-SEYXRHQNSA-N |
| Literature Reference DOI |
10.1002/cmdc.200800430 |
| Molecular Weight |
400.647 g/mol |
| SMILES |
C1(C=C(C(C)C)C(=O)C(=C1C)CCCCCCC\C=C/CCCCCCCC)=O |
| SPLASH |
splash10-0ufr-5820900000-44d3090dfa71d9b62cec |
| Source of Spectrum |
CMC-4-767-3b |
| Synonyms |
(Z)-3-(heptadec-8-en-1-yl)-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Wiley ID |
1771587 |
