LBF20502HP01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8096 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20502HP01.mol |
| |
| Structural Information | |
| Systematic Name | 5-Hydroperoxy-6,8,11,14,17-Icosapentaenoic Acid/5-Hydroperoxy-6,8,11,14,17-Icosapentaenoate |
| Common Name | |
| Symbol | |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC=CCC=CCC=CC=CC(OO)CCCC(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-derivatization)<<8109/8118/8119/8121>>: m/e=404[M]; 389[M-CH3]; 314[M-HOTMS]; 303[M-(CH2)3COOCH3]; 255[M-CH2CH=CH(CH2)3CH3]; 213[303-HOTMS]; 203[SMTO=CH(CH2)3COOCH3] |
| UV Spectra | UV(Me-ester)<<8109>>: conjugated diene: lmax=235.5nm; UV(after reduction)<<8121>>: conjugated diene: l=max=235nm |
| IR Spectra | IR(Me-ester)<<8109>>: OOH group: 3400cm-1 |
| NMR Spectra | 1H-NMR<<8109>>: OOH proton: 8.5ppm |
| Chromatograms | |
