LBF20407HO01
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8088 |
LipidMaps | LMFA03060043 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF20407HO01.mol |
Structural Information | |
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Systematic Name | 5,15-Dihydroperoxy-6,8,11,13-Eicosatetraenoic Acid/5,15-Dihydroperoxy-6,8,11,13-Eicosatetraenoate |
Common Name | |
Symbol | |
Formula | C20H32O6 |
Exact Mass | 368.219888756 |
Average Mass | 368.46448 |
SMILES | C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(Me-ester;after reduction, hydrogenation and TMS-derivatization)<<8097/8098>>: m/e=487[M-CH3]; 431[M-(CH2)4CH3]; 401[M-(CH2)3COOCH3]; 341[431-H OTMS]; 311[401-HOTMS]; 203[SMTO=CH(CH2)3COOCH3]; 173[SMTO=CH(CH2)4CH3] |
UV Spectra | UV(Me-ester)<<8098>> conjugated diene: 236nm |
IR Spectra | IR(Me-ester)<<8098>> OOH group: 3400cm-1 |
NMR Spectra | 1H-NMR(Me-ester)<<8098>> OOH: 8.3ppm |
Chromatograms |