LBF18106EO02: Difference between revisions
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Revision as of 00:03, 20 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8011 |
| LipidMaps | LMFA01070003 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18106EO02 |
| 9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid | |
|---|---|
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| Structural Information | |
| 9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid | |
| |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1 |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. StreckertGet al. Frankel_EN et al. Gardner_HW et al. Sessa_DJ et al. Neff_WE et al.: m/e= 398[M], 383[M-CH3], 241[M-(CH2)7COOCH3], 199[SMTO=CH-CH=CH(CH2)4CH3 or CH(-O-)-CH(CH2)7COOCH3], GC-EI-MS(after methanolysis, reduction and hydrogenation)(078), GC-EI-MS(after aceto-hydrolyzation, methanolysis and trimethylsilylation) GalliardTet al. StreckertGet al.: m/e=361[SMTO |
| UV Spectra | |
| IR Spectra | Methyl ester Gardner_HW et al. SchieberlePet al. StreckertGet al. GalliardTet al. Sessa_DJ et al.: trans olefin(980cm-1), trans epoxide(900-890cm-1), OH(3620-3300cm-1) |
| NMR Spectra | 1H-NMR Gardner_HW et al.: trans-epoxy-cis-ene: C9(2.98ppm), C10(2.77ppm), C11(4.63ppm), C12(5.32ppm), C13(5.60ppm), C14(2.06ppm), J9-10=2Hz, J10-11=4Hz, J11-12=8Hz J12-13=11Hz / trans-epoxy-trans-ene: C9(2.93ppm), C10(2.77ppm), C11(4.25ppm), C12, 13(5.54ppm), C14(2.06ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||
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