LBF18107OX02: Difference between revisions
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Revision as of 00:03, 20 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8042 |
| LipidMaps | LMFA01060069 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18107OX02 |
| 13-Hydroxy-10-Oxo-11-Octadecenoic Acid | |
|---|---|
| |
| Structural Information | |
| 13-Hydroxy-10-Oxo-11-Octadecenoic Acid | |
| |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and hydrogenation) Gardner_WH : m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO] |
| UV Spectra | l EtOH /max=226nm(e=9900Å }1100), l EtOH /max=275nm(e260Å }30) Gardner_WH |
| IR Spectra | Trans unsaturation(973cm-1), conjugated C=O(1617cm-1), OH(3460,1070cm-1) Gardner_WH |
| NMR Spectra | 1H-NMR Gardner_WH : C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||
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