| SpectraBase Spectrum ID |
GJGCAn9LoVB |
| Name |
6-Heptadecylthymoquinone |
| Alternate Name(s) |
3-Heptadecyl-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/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/h21-22H,5-20H2,1-4H3 |
| InChIKey |
AMYMRDXQIGEKIF-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cmdc.200800430 |
| Molecular Weight |
402.663 g/mol |
| SMILES |
C1(C=C(C(C)C)C(=O)C(=C1C)CCCCCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0udi-0200900000-51cf6ae6b4e8178fc886 |
| Source of Spectrum |
CMC-4-766-3a |
| Wiley ID |
1771586 |
