LBF18203HP03

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Upper classes: LB LBF



Methyl-13,15-epidioxy-12-hydroperoxy- (9Z,16E) -octadecadienoate
LBF18203HP03.png
Structural Information
Systematic Name Methyl-13,15-epidioxy-12-hydroperoxy- (cis-9,trans-16) -octadecadienooic acid
Common Name
  • Methyl-13,15-epidioxy-12-hydroperoxy- (9Z,16E) -octadecadienoate
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source Photoenhancemant of linoleate peroxydation[Type II] Neff_WE et al.. Production of 10-hydroperoxyradical by singlet-oxygen mediated oxydation of linolate via 1,3-cyclization Frankel_EN Neff_WE et al..
Chemical Synthesis
Metabolism
Biological Activity It reacts with DNA in the presence of Fe ions and ascorbic acid Fujimoto_K et al..
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=307[M-CH3- HOTMS]; 299[SMTO=CHCH2CH=CH(CH2)7COOCH3]; 113[M-299]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) Neff_WE et al.: m/e=457[M-CH3-HOTMS]
UV Spectra
IR Spectra OOH GROUP: 3660-3150cm-1[bonded], 3520cm-1[free]; olefinic protons: 3020-3002cm-1; isolated trans unsaturation: 960cm-1 Neff_WE et al.
NMR Spectra 1H-NMR Neff_WE et al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18203HP03 See above. Frankel_EN 1984
n.a. LBF18203HP03 See above. Fujimoto_K et al. 1984
n.a. LBF18203HP03 See above. Neff_WE et al. 1982


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