LBF18108HO02
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8019 |
| LipidMaps | LMFA01050122 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18108HO02.mol |
| |
| Structural Information | |
| Systematic Name | 12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C20H38O5 |
| Exact Mass | 358.271924326 |
| Average Mass | 358.51272 |
| SMILES | OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8013/8017>>: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak] |
| UV Spectra | |
| IR Spectra | Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1) <<8013/8017>> |
| NMR Spectra | 1H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) <<8013/8017>> |
| Chromatograms | |
