| SpectraBase Compound ID | BcXFhcUiuaj |
|---|---|
| InChI | InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+ |
| InChIKey | PREFNHDXWDEDCP-LHQOQIQTSA-N |
| Mol Weight | 463.5 g/mol |
| Molecular Formula | C25H35BrO3 |
| Exact Mass | 462.176958 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EelwfaAkiYF |
|---|---|
| Name | carduusyne-D ethyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H35BrO3 |
| InChI | InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+ |
| InChIKey | PREFNHDXWDEDCP-LHQOQIQTSA-N |
| Molecular Weight | 463.456 g/mol |
| SMILES | OC(\C=C/(\C=C\CCC)Br)CCCCCC\C=C\C#CC#CCCC(=O)OCC |
| SPLASH | splash10-05r3-9601000000-110e65d0d5beb4685d38 |
| Source of Spectrum | B-47-1901-0 |
| Synonyms | Ethyl (8E,17E,19E)-18-bromo-16-hydroxy-8,17,19-tricosatriene-4,6-diynoate |
| Wiley ID | 1391056 |