LBF18206HP05
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8006 |
LipidMaps | LMFA01040009 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18206HP05.mol |
Structural Information | |
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Systematic Name | 14-Hydroperoxy-9,12-Octadecadienoic Acid |
Common Name | |
Symbol | |
Formula | C18H32O4 |
Exact Mass | 312.23005951199997 |
Average Mass | 312.44428 |
SMILES | CCCCC(OO)C=CCC=CCCCCCCCC(O)=O |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation)<<8050>>: m/e= 325[M-(CH2)3CH3] standard peak, 292[M-HOTMS], 235[325-HOTMS], 185[CH=CH-CH(OTMS)-(CH2)3CH3] |
UV Spectra | |
IR Spectra | |
NMR Spectra | 1H-NMR(after methanolyzation, reduction and 400MHz)<<8050>>: olefinic protons(5.32-5.47ppm) C14(4.45ppm), C11(2.85ppm), C8(2.05ppm), J9-10= J12-13= 10.08Å }0.1Hz(cis) |
Chromatograms |