| SpectraBase Spectrum ID |
94ToS183Ivi |
| Name |
Methyl (9Z,14Z)-12,13,16-trihydroxyoctadeca-9,14-dienoate, triacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.272318240 u |
| Formula |
C25H40O8 |
| InChI |
InChI=1S/C25H40O8/c1-6-22(31-19(2)26)17-18-24(33-21(4)28)23(32-20(3)27)15-13-11-9-7-8-10-12-14-16-25(29)30-5/h11,13,17-18,22-24H,6-10,12,14-16H2,1-5H3/b13-11-,18-17- |
| InChIKey |
OLJQSRMAHHCSOG-BCTRXSSUSA-N |
| Molecular Weight |
468.587 g/mol |
| SMILES |
C(C)(=O)OC(C(OC(=O)C)C\C=C/CCCCCCCC(OC)=O)\C=C/C(CC)OC(C)=O |
