LBF18205HP01

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Upper classes: LB LBF



Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
LBF18205HP01.png
Structural Information
Systematic Name Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoic acid
Common Name
  • Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
Symbol
Formula C19H34O6
Exact Mass 358.23553882
Average Mass 358.46966000000003
SMILES COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source It is produced from a 16-hydroperoxide isomer of linoleate by 1,4-adduct of singlet-oxygen Frankel_EN Neff_WE et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=412[M]; 322[M-HOTMS]; 281[M-131]; 197[CH2CH=CH(CH2)7COOCH3]; 183[CH=CH(CH2)7COOCH3]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) Neff_WE et al.
UV Spectra
IR Spectra OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1 Neff_WE et al.
NMR Spectra 1H-NMR Neff_WE et al.: C8: 2.05ppm; C9, 10: 5.45ppm; C11: 2.0ppm; C12: 4.48ppm; C13, 14: 5.98ppm; C15: 4.65ppm; C16: 4.22ppm; C17: 1.6ppm; OOH: 8.65ppm
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18205HP01 See above. Frankel_EN 1984
n.a. LBF18205HP01 See above. Neff_WE et al. 1984


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