LBF18206HP05
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8006 |
| LipidMaps | LMFA01040009 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18206HP05.mol |
| |
| Structural Information | |
| Systematic Name | 14-Hydroperoxy-9,12-Octadecadienoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCC(OO)C=CCC=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation)<<8050>>: m/e= 325[M-(CH2)3CH3] standard peak, 292[M-HOTMS], 235[325-HOTMS], 185[CH=CH-CH(OTMS)-(CH2)3CH3] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H-NMR(after methanolyzation, reduction and 400MHz)<<8050>>: olefinic protons(5.32-5.47ppm) C14(4.45ppm), C11(2.85ppm), C8(2.05ppm), J9-10= J12-13= 10.08Å }0.1Hz(cis) |
| Chromatograms | |
