LBF18108MO01
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8036 |
| LipidMaps | LMFA01080005 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18108MO01.mol |
| |
| Structural Information | |
| Systematic Name | 13-Hydroxy-9,12-Dimethoxy-10-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C20H38O5 |
| Exact Mass | 358.271924326 |
| Average Mass | 358.51272 |
| SMILES | C(C(OC)C=CC(OC)CCCCCCCC(O)=O)(O)CCCCC |
| 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=173[SMTO=CH(CH2)4CH3](standard peak), 240[M-173-OCH3] |
| UV Spectra | |
| IR Spectra | Methyl ester(CS2)<<8070>>: trans olefin(975cm-1), OH(3570 and 3460cm-1) |
| NMR Spectra | 1H-NMR(methyl ester; CDCl3,300MHz)<<8070>>: C9(3.54-3.55ppm), C10(5.49-5.56ppm), C11(5.40-5.58ppm), C12(3.35-3.52ppm), C13(3.46-3.71ppm), C12OCH3(3.28-3.31ppm), C9OCH3(3.25-3.27ppm), J10-11=15.7Hz(trans unsaturation) |
| Chromatograms | |
