LBF18203EO02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8072 | |LipidBank=DFA8072 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8072 |
| LipidMaps | LMFA01070013 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18203EO02.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-12,13-Epoxy-9,15-Octadecadienoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O3 |
| Exact Mass | 308.23514489 |
| Average Mass | 308.45558 |
| SMILES | C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS<<8084>>: m/e=308[M]; 277[M-OCH3]; 211[CH-(O)-CHCH2CH=CH(CH2)7COOCH3-28] 83[M-CH2CH=CH(CH2)7COOCH3-28], GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 241[CH-(O)-CH(CH2)10CO OCH3]; 213[214-28]; 113[M-(CH2)10COOCH3]; 85[113-28] |
| UV Spectra | |
| IR Spectra | Cis unsaturation: 3002cm-1<<8081>> |
| NMR Spectra | 1H-NMR<<8081>>: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H] |
| Chromatograms | |
