LBF20406HO01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8083 |
| LipidMaps | LMFA03060038 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20406HO01.mol |
| |
| Structural Information | |
| Systematic Name | 12-Hydroperoxy-5,8,10,14-Eicosatetraenoic Acid/12-Hydroperoxy-5,8,10,14-Eicosatetraenoate |
| Common Name | |
| Symbol | |
| Formula | C20H32O4 |
| Exact Mass | 336.23005951199997 |
| Average Mass | 336.46567999999996 |
| SMILES | C(CC=CCC(OO)C=CC=CCC=CCCCC(O)=O)CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(Me-ester;after reduction and TMS)<<8080/8098/8116/8117/8119>>:m/e= GC-EI-MS(Me-ester;after reduction and TBDMS)<<8098>>: GC-EI-MS(Me-ester; after reduction, hydrogenation and TMS)<<8080/8098/8099/8105/8116>> |
| UV Spectra | UV<<8099>>conjugated diene: lmax=235nm, UV(Me-ester)<<8098>>conjugated diene: lmax=232.5nm, UV(Me-ester; after reduction)<<8105>> conjugated cis, trans diene: lmax=236nm, conjugated trans, trans diene: lmax=232.5n |
| IR Spectra | IR(Me-ester; after reduction)<<8105>> conjugated cis, trans diene: 985,950cm-1, conjugated trans, trans diene: 989cm-1 |
| NMR Spectra | |
| Chromatograms | |
