LBF18206HO03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8022 | |LipidBank=DFA8022 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8022 |
| LipidMaps | LMFA01050124 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18206HO03.mol |
| |
| Structural Information | |
| Systematic Name | 9-Hydroxy-10,12-Octadecadienoic Acid/9-Hydroxy-10,12-Octadecadienoate |
| Common Name | |
| Symbol | |
| Formula | C18H32O3 |
| Exact Mass | 296.23514489 |
| Average Mass | 296.44488 |
| SMILES | CCCCCC=CC=CC(O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8059/8018/8012>>: m/e=382[M], 367[M-CH3], 351[M-OCH3], 311[M-(CH2)4CH3], 225[M-(CH2)7COOCH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059>>, GC-EI-MS(after methanolysis and hydrogenation)<<8064>> |
| UV Spectra | Methyl ester: l/max=231, 233, 234nm <<8071>> |
| IR Spectra | Methyl ester: trans, trans isomer: trans, trans conjugated diene(985cm-1), free OH(3600cm-1), bonded OH(3695-3318cm-1), trans, cis isomer: trans, cis conjugated diene(990, 968cm-1), olefinic(3005cm-1), free OH(3600cm-1), bonded OH(3700-3160cm- |
| NMR Spectra | 1H-NMR(methyl ester): trans, trans olefinic protons(5.41ppm), trans,cis olefinic protons(5.91ppm), C9(4.15-4.20ppm), C14(2.07-2.10ppm)<<8017/8071>> |
| Chromatograms | |
