LBF18109EO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8008 | |LipidBank=DFA8008 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8008 |
| LipidMaps | LMFA01070002 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18109EO01.mol |
| |
| Structural Information | |
| Systematic Name | 12,13-Epoxy-9-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O3 |
| Exact Mass | 296.23514489 |
| Average Mass | 296.44488 |
| SMILES | C(C(CC=CCCCCCCCC(O)=O)1)(CCCCC)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after solvolysation-trimethylsilylation in MeOH)<<8018/8062/8071>>: m/e= 299[SNTO=CH-CH2-CH=CH(CH2)7COOCH3], 217[CH3(CH2)4CH(OCH3)CHOTMS], 195[OHCCH2CH=CH(CH2)7CO], 173[ SMTO=CH(CH2)4CH3] |
| UV Spectra | |
| IR Spectra | Trans olefin(960cm-1), cis olefin(720cm-1), trans epoxide(885cm-1), cis epoxide(840 and 820cm-1)<<8071>> |
| NMR Spectra | 1H-NMR<<8071>>: C8(2.01ppm), C9, 10(5.45ppm), C2, 11(2.29ppm), C12, 13(2.91ppm), J9-10= 10Hz(cis olefin) |
| Chromatograms | |
