| SpectraBase Spectrum ID |
2YIAtn2dsfY |
| Name |
(8'Z,11'Z,14'Z)-6-(Heptadeca-8',11',14'-trienyl)thymoquinone |
| Alternate Name(s) |
3-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O2 |
| InChI |
InChI=1S/C27H40O2/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/h6-7,9-10,12-13,21-22H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12- |
| InChIKey |
BYUKCFNVUVSOGX-QNEBEIHSSA-N |
| Literature Reference DOI |
10.1002/cmdc.200800430 |
| Molecular Weight |
396.615 g/mol |
| SMILES |
C1(C=C(C(C)C)C(=O)C(=C1C)CCCCCCC\C=C/C\C=C/C\C=C/CC)=O |
| SPLASH |
splash10-002f-9110000000-95a22f0e1dfbd032b626 |
| Source of Spectrum |
CMC-4-767-3d |
| Wiley ID |
1771589 |
