LBF18107OX02
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8042 |
| LipidMaps | LMFA01060069 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18107OX02.mol |
| |
| Structural Information | |
| Systematic Name | 13-Hydroxy-10-Oxo-11-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and hydrogenation)<<8067>>: m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO] |
| UV Spectra | l EtOH /max=226nm(e=9900Å }1100), l EtOH /max=275nm(e260Å }30)<<8067>> |
| IR Spectra | Trans unsaturation(973cm-1), conjugated C=O(1617cm-1), OH(3460,1070cm-1) <<8067>> |
| NMR Spectra | 1H-NMR<<8067>>: C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm) |
| Chromatograms | |
