LBF18206OX01: Difference between revisions
No edit summary |
No edit summary |
(No difference)
| |
Revision as of 00:03, 20 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8046 |
| LipidMaps | LMFA01060071 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18206OX01 |
| 9-Oxo-10,12-Octadecadienoic Acid | |
|---|---|
| |
| Structural Information | |
| 9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate | |
| |
| Formula | C18H30O3 |
| Exact Mass | 294.21949482599996 |
| Average Mass | 294.429 |
| SMILES | CCCCCC=CC=CC(=O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and hydrogenation) SchieberlePet al. Sessa_DJ et al. Frankel_EN et al. Gardner_HW et al.: m/e=308[M], 277[M-OCH3], 237[M-(CH2)4CH3], 185[C(O)(CH2)6COOCH3], 166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2; Maclafferty transposition] 151[M-(CH2)7COOCH3]GC-EI-MS(TMS) Gardner_HW et al.: m/e=366[M], 341[M-CH3], 295[ [M-(CH2)4CH3], 276[M-HOTMS] |
| UV Spectra | l MeOH /max=277-278nm(e=20300),lmax=267nm(cyclohexane) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al. |
| IR Spectra | Trans, trans unsaturations(strong absorption at 1000-990cm-1), trans,cis unsaturations(960-955cm-1), unsaturated ketone(1695-1600cm-1) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al. Gardner_HW et al. |
| NMR Spectra | 1H-NMR Gardner_HW et al. Sessa_DJ et al.: C8(2.54ppm), C10, 12, 13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
