LBF18206HP04
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8005 | |LipidBank=DFA8005 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8005 |
| LipidMaps | LMFA01040008 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18206HP04.mol |
| |
| Structural Information | |
| Systematic Name | 8-Hydroperoxy-9,12-Octadecadienoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC=CCC=CC(OO)CCCCCCC(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= 292[M-HOTMS], 271[CH=CH-CH(OTMS)-(CH2)6COOCH3], 239[M-(CH2)6C00CH3], 173[SMTO=CH-(CH2)6COOCH3-TMS+H], 149[239-HOTMS] standard peak |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H-NMR (after methanolyzation, reduction and 400MHz )<<8050>>: olefinic protons(5.91-5.51ppm), C8 (4.45ppm), C11(2.84ppm), C14(2.05ppm),J9-10= J12-13= 10.7Å }0.2Hz (cis) |
| Chromatograms | |
