LBF18203HP02
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8058 |
| LipidMaps | LMFA01040042 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18203HP02.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O6 |
| Exact Mass | 356.219888756 |
| Average Mass | 356.45378 |
| SMILES | C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8084>>: m/e=307[M-CH3- HOTMS]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization)<<8084>> |
| UV Spectra | |
| IR Spectra | OOH group: 3660-3150cm-1[bonded], 3520cm-1[free]; OLEFINIC PROTONS: 3020-3002cm-1; isolated trans unsaturation: 960cm-1<<8084>> |
| NMR Spectra | 1H-NMR(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm <<8084>> |
| Chromatograms | |
