| SpectraBase Spectrum ID |
JRu9LThD2gE |
| Name |
(8'Z,11'Z)-6-(Heptadeca-8',11'-dienyl)thymoquinone |
| Alternate Name(s) |
3-((8Z,11Z)-heptadeca-8,11-dien-1-yl)-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O2 |
| InChI |
InChI=1S/C27H42O2/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/h9-10,12-13,21-22H,5-8,11,14-20H2,1-4H3/b10-9-,13-12- |
| InChIKey |
LWCBSNOISVVYGG-UTJQPWESSA-N |
| Molecular Weight |
398.631 g/mol |
| SMILES |
C1(C=C(C(C)C)C(=O)C(=C1C)CCCCCCC\C=C/C\C=C/CCCCC)=O |
| SPLASH |
splash10-00pt-5915000000-ff61ee313fa606d4a96c |
| Source of Spectrum |
CMC-4-767-3c |
| Wiley ID |
1771588 |
