LBF18302HP01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8055 |
| LipidMaps | LMFA01040039 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18302HP01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-15-Hydroperoxy-9,12,16-Octadecatrienoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O4 |
| Exact Mass | 324.23005951199997 |
| Average Mass | 324.45498 |
| SMILES | CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation)<<8020>>: m/e=271[O=CH(CH2)13C(=OH)OCH3]; 242[CH2(CH2)12C(=OH)OCH3]; 239[O=CH(CH2)13C=O]; GC-EI-MS(Me-ester; after reduction and hydroganation)<<8090>>: m/e=143[SMTO=CH-CH=CH-CH3] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
