LBF18109HO05
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8028 | |LipidBank=DFA8028 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8028 |
| LipidMaps | LMFA01050130 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18109HO05.mol |
| |
| Structural Information | |
| Systematic Name | 11,12,13-Trihydroxy-9-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H34O5 |
| Exact Mass | 330.240624198 |
| Average Mass | 330.45956 |
| SMILES | CCCCCC(O)C(O)C(O)C=CCCCCCCCC(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)<<8069>>: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173] |
| UV Spectra | |
| IR Spectra | Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1) <<8069>> |
| NMR Spectra | 1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm)<<8069>> |
| Chromatograms | |
