| SpectraBase Spectrum ID |
LqIZji6MGff |
| Name |
(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-2-[4-(3,7-dimethyl-8-oxo-2,6-octadienyloxy)-phenyl]-2-hydroxyethyl amide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29NO6S |
| InChI |
InChI=1S/C22H29NO6S/c1-17(5-4-6-18(2)16-24)11-13-29-20-9-7-19(8-10-20)21(25)15-23-22(26)12-14-30(3,27)28/h6-12,14,16,21,25H,4-5,13,15H2,1-3H3,(H,23,26)/b14-12+,17-11+,18-6+ |
| InChIKey |
ZHYIPTBPSLKFJK-SPTCOWEGSA-N |
| Molecular Weight |
435.535 g/mol |
| SMILES |
N(CC(O)c1ccc(cc1)OC\C=C\(CC\C=C\(C=O)C)C)C(\C=C\S(=O)(=O)C)=O |
| SPLASH |
splash10-00di-9820000000-d065189dd142d85c7776 |
| Source of Spectrum |
Otmar Hofer, et al. Phytochemistry, V. 54, 2000, P.207-213 |
| Synonyms |
b-Hydroxygerambullal
(E)-N-(2-(4-(((2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dien-1-yl)oxy)phenyl)-2-hydroxyethyl)-3-(methylsulfonyl)acrylamide |
| Wiley ID |
1817550 |
![(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-2-[4-(3,7-dimethyl-8-oxo-2,6-octadienyloxy)-phenyl]-2-hydroxyethyl amide](/api/spectrum/LqIZji6MGff/structure.png?h=300&w=458 "(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-2-[4-(3,7-dimethyl-8-oxo-2,6-octadienyloxy)-phenyl]-2-hydroxyethyl amide")
