| SpectraBase Spectrum ID |
FnXsB67v1l4 |
| Name |
19-Bromo-20-acetoxydocosahexaenoic acid methyl ester |
| Alternate Name(s) |
Methyl (4Z,7Z,10Z,13Z,16Z,19R,20R)-20-(acetyloxy)-19-bromo-4,7,10,13,16-docosapentaenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37BrO4 |
| InChI |
InChI=1S/C25H37BrO4/c1-4-24(30-22(2)27)23(26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25(28)29-3/h5-6,9-12,15-18,23-24H,4,7-8,13-14,19-21H2,1-3H3/b6-5-,11-9-,12-10-,17-15-,18-16-/t23-,24-/m1/s1 |
| InChIKey |
JYKMRZYAUUSYRZ-ADNIYHRGSA-N |
| Molecular Weight |
481.471 g/mol |
| SMILES |
C(O[C@@]([C@](Br)(C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC)[H])(CC)[H])(=O)C |
| SPLASH |
splash10-0006-0009200000-76e5ec7bb965f84a9808 |
| Source of Spectrum |
QC-11-857-7 |
| Wiley ID |
859738 |
