SpectraBase Spectrum ID |
CQRaxHlVmiF |
Name |
(8'Z,11'Z,14'Z)-6-(Heptadeca-8',11',14'-trienyl)thymoquinone |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
396.302830526 u |
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 |
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 |