LBF18109MO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8015 | |LipidBank=DFA8015 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8015 |
| LipidMaps | LMFA01080007 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18109MO01.mol |
| |
| Structural Information | |
| Systematic Name | 12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C19H34O4 |
| Exact Mass | 326.24570957599997 |
| Average Mass | 326.47086 |
| SMILES | C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(methyl ester)<<8070>>: m/e=309[M-OCH3], 240[M-CH3(CH2)4CHO], 227[CH3OCH-CH=CH(CH2)7COOCH3], 209[240-OCH3], 195[227-CH3OH] |
| UV Spectra | |
| IR Spectra | Methyl ester: cis olefin(758-740cm-1), trans epoxide(900 AND 890cm-1), cis epoxide(852 and 842cm-1) <<8070>> |
| NMR Spectra | 1H-NMR: C8(2.08ppm), C9(5.69-5.74ppm), C10(5.28-5.32ppm), C11(3.76-4.03ppm), C12(2.74-2.98ppm), C13(2.74-2.92ppm), J9-10=11.7-11.9Hz(cis unsaturation) <<8070>> |
| Chromatograms | |
