SpectraBase Spectrum ID |
7BDVRvSxaJ3 |
Name |
1,7,11-Cyclotetradecatriene-1-methanol, 7,11-dimethyl-4-(5-methyl-1-methylene-4-hexenyl)-, acetate, [R-(Z,Z,E)]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.318480590 u |
Formula |
C27H42O2 |
InChI |
InChI=1S/C27H42O2/c1-21(2)10-7-14-24(5)27-18-16-23(4)12-8-11-22(3)13-9-15-26(17-19-27)20-29-25(6)28/h10,12-13,17,27H,5,7-9,11,14-16,18-20H2,1-4,6H3/b22-13-,23-12-,26-17+/t27-/m1/s1 |
InChIKey |
VXHSCMMTIPZZMF-ZZFLSFPWSA-N |
Molecular Weight |
398.631 g/mol |
SMILES |
C([C@]1(C\C=C\(COC(=O)C)CC\C=C/(CC\C=C/(CC1)C)C)[H])(=C)CCC=C(C)C |