LBF18106EO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8007 | |LipidBank=DFA8007 | ||
Revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8007 |
| LipidMaps | LMFA01070011 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18106EO01.mol |
| |
| Structural Information | |
| Systematic Name | 9,10-Epoxy-12-Octadecenoic Acid/9,10-Epoxy-12-Octadecenoate |
| Common Name | |
| Symbol | |
| Formula | C18H32O3 |
| Exact Mass | 296.23514489 |
| Average Mass | 296.44488 |
| SMILES | C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS<<8017>>: m/e= 310[M], 279[M-OCH3], 199[M-CH3(CH2)4CH=CHCH2], 153[M-(CH2)7-COOCH3], GC-EI-MS(after solvolysation-trimethylsilylation in MeOH)<<8062>> |
| UV Spectra | |
| IR Spectra | Olefinic(3002cm-1), cis unsaturation(718cm-1), cis epoxide(835-815cm-1)<<8017>> |
| NMR Spectra | 1H-NMR<<8017>>: olefinic protons(5.44ppm), isolated cis epoxide(2.92ppm) |
| Chromatograms | |
