LBF18203EO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8071 | |LipidBank=DFA8071 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8071 |
| LipidMaps | LMFA01070012 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18203EO01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-9,10-Epoxy-12,15-Octadecadienoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O3 |
| Exact Mass | 308.23514489 |
| Average Mass | 308.45558 |
| SMILES | C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | Cis unsaturation: 3002cm-1<<8081>> |
| NMR Spectra | GC-EI-MS<<8084>>: m/e=308[M]; 277[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 151[M-(CH2)7COOCH3]; 123[151-28]; GC-EI-MS(after hydrogenation)<<8084>>: m/e=281[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 155[M-(CH2)7COOCH3]127[155-28] |
| Chromatograms | |
