LBF20406HO06
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8089 |
| LipidMaps | LMFA03060044 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20406HO06.mol |
| |
| Structural Information | |
| Systematic Name | 8,15-Dihydroperoxy-5,9,11,13-Eicosatetraenoic Acid/8,15-Dihydroperoxy-5,9,11,13-Eicosatetraenoate |
| Common Name | |
| Symbol | |
| Formula | C20H32O6 |
| Exact Mass | 368.219888756 |
| Average Mass | 368.46448 |
| SMILES | C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | EI-MS(Me-ester; after reduction)<<8108>>: m/e=350[M]; 332[M-H2O]; 301[332-OCH3]; 261[332-(CH2)4CH3]; 209[M-CH=CH(CH2)4COOCH3]; 191[209-H2O]; GC-EI-MS(Me-ester; after reduction, hydrogenation and TMS)<<8097/8098>>: m/e=487[M-CH3]; 431[M-(CH2)4CH3]; 359[M-(CH2)6COOCH3] |
| UV Spectra | UV(Me-ester)<<8098>> conjugated triene: 270nm and 281nm |
| IR Spectra | IR(Me-estre)<<8098>>OOH group: 3400cm-1, IR(after reduction)<<8108>> trans unsaturation: 968cm-1, OH group: 1040, 3540cm-1 |
| NMR Spectra | 1H-NMR(Me-ester)<<8098>> OOH: 8.3ppm, 1H-NMR(after reduction)<<8108>> C8, C15: 4.2ppm; OH: 6.3ppm |
| Chromatograms | |
