LBF18107OX01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8041 |
| LipidMaps | LMFA01060068 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18107OX01.mol |
| |
| Structural Information | |
| Systematic Name | 13-Hydroxy-9-Oxo-11-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(O)C=CCC(=O)CCCCCCCC(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)<<8013/8071/8068>>: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 199[CH2CO(CH2)7COOCH3], 185[CO(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8068>> |
| UV Spectra | |
| IR Spectra | Metyl ester(CS2): isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) <<8013/8071>> |
| NMR Spectra | 1H-NMR(methyl ester, trans ene)<<8013>>: C2, 8(2.33ppm), C10(3.11ppm), C11(5.7ppm) C12(5.56ppm), C13(4.08ppm) |
| Chromatograms | |
