| SpectraBase Spectrum ID |
7FiRsv9Mbp |
| Name |
carduusyne-B ethyl ester |
| Alternate Name(s) |
Ethyl (8E,17E,19E)-18-bromo-8,17,19-tricosatriene-4,6-diynoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35BrO2 |
| InChI |
InChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18+,24-22+ |
| InChIKey |
GHVRQXGOEFTAJV-YCLUIVRGSA-N |
| Molecular Weight |
447.457 g/mol |
| SMILES |
C(C#CCCC(=O)OCC)#C\C=C\CCCCCCC\C=C/(\C=C\CCC)Br |
| SPLASH |
splash10-0a4i-9600000000-77cc32d219d2c67fd571 |
| Source of Spectrum |
B-47-1901-0 |
| Wiley ID |
1386653 |
