LBF18207HO04
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8029 |
| LipidMaps | LMFA01050131 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18207HO04.mol |
| |
| Structural Information | |
| Systematic Name | 8,13-Dihydroxy-9,11-Octadecadienoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(O)C=CC=CC(O)CCCCCCC(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)<<8054>>: m/e=455[M-CH3], 439[M-OCH3], 380[M-HOTMS], 245[SMTO=CH-(CH2)6COOCH3], 237[M-(CH2)6COOCH3-HOTMS], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8054>>: m/e=459[M-CH3], 403[M-(CH2)4CH3], 374[(CH2)4 -CH(OTMS)-(CH2)6-C(OTMS)OCH] |
| UV Spectra | Methyl ester: lMeOH/max=230nm(224nm and 238nm)<<8054/8055>> |
| IR Spectra | trans trans unsaturation(990-981cm-1)<<8054/8055>> |
| NMR Spectra | |
| Chromatograms | |
