LBF18303HP04
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8054 |
| LipidMaps | LMFA01040038 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18303HP04.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-10-Hydroperoxy-8,12,15-Octadecatrienoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O4 |
| Exact Mass | 324.23005951199997 |
| Average Mass | 324.45498 |
| SMILES | CCC=CCC=CCC(OO)C=CCCCCCCC(=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=201[O=CH(CH2)8C(=OH)OCH3]; 172[CH2(CH2)7C(=O)OCH3];169[O=CH(CH2)8C=O]; GC-EI-MS (Me-ester; after reduction, TMS)<<8090>>: m/e=271[SMTO=CH-CH=CH(CH2)6COOCH3], GC-EI-MS(Me-ester;after reduction, hydrogenation) |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
