| SpectraBase Spectrum ID |
8pjzbUgDKeG |
| Name |
(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-4-(8-hydroxy-3,7-dimethyl-2,6-octadienyloxy)-phenethyl amide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H31NO5S |
| InChI |
InChI=1S/C22H31NO5S/c1-18(5-4-6-19(2)17-24)12-15-28-21-9-7-20(8-10-21)11-14-23-22(25)13-16-29(3,26)27/h6-10,12-13,16,24H,4-5,11,14-15,17H2,1-3H3,(H,23,25)/b16-13+,18-12+,19-6+ |
| InChIKey |
OIPUYBHQDRXDMA-XMSDZGCQSA-N |
| Molecular Weight |
421.552 g/mol |
| SMILES |
N(CCc1ccc(OC\C=C\(CC\C=C\(CO)C)C)cc1)C(\C=C\S(=O)(=O)C)=O |
| SPLASH |
splash10-05fu-9410000000-7ec07e48054982d8bc14 |
| Source of Spectrum |
Otmar Hofer, et al. Phytochemistry, V. 54, 2000, P.207-213 |
| Synonyms |
Gerambullol
(E)-N-(4-(((2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)phenethyl)-3-(methylsulfonyl)acrylamide |
| Wiley ID |
1817547 |
