LBF18109MO03
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8037 |
| LipidMaps | LMFA01080006 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18109MO03.mol |
| |
| Structural Information | |
| Systematic Name | 12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C19H36O5 |
| Exact Mass | 344.256274262 |
| Average Mass | 344.48614000000003 |
| SMILES | CCCCCC(O)C(O)C(OC)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)<<8070>>: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3] |
| UV Spectra | |
| IR Spectra | Methyl ester(CS2)<<8070>>: cis olefin(750cm-1), OH(3550 and 3490cm-1) |
| NMR Spectra | 1H-NMR(methyl ester; CDCl3,300MHz)<<8070>>: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation) |
| Chromatograms | |
