LBF18203HP02

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Upper classes: LB LBF



LBF18203HP02.png
Structural Information
Systematic Name Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8084>>: m/e=307[M-CH3- HOTMS]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization)<<8084>>
UV Spectra
IR Spectra OOH group: 3660-3150cm-1[bonded], 3520cm-1[free]; OLEFINIC PROTONS: 3020-3002cm-1; isolated trans unsaturation: 960cm-1<<8084>>
NMR Spectra 1H-NMR(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm <<8084>>
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18203HP02 See above. Frankel_EN 1984
n.a. LBF18203HP02 See above. Fujimoto_K et al. 1984
n.a. LBF18203HP02 See above. Neff_WE et al. 1982
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