LBF18107OX01

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Upper classes: LB LBF



13-Hydroxy-9-oxo-11-octadecenoic acid
LBF18107OX01.png
Structural Information
13-Hydroxy-9-oxo-11-octadecenoic acid
  • 13-Hydroxy-9-oxo-11-octadecenoic acid
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES CCCCCC(O)C=CCC(=O)CCCCCCCC(O)=O
Physicochemical Information
A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond shows trans configuration] Gardner_HW et al. Gardner_HW et al.. A bitter substance in lecithin Sessa_DJ et al.. Production mechanism. Oxidative products of 13-hydroperoxylinoleate Gardner_HW et al..
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Sessa_DJ et al. Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 199[CH2CO(CH2)7COOCH3], 185[CO(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Gardner_HW et al.
UV Spectra
IR Spectra Metyl ester(CS2): isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) Gardner_HW et al. Sessa_DJ et al.
NMR Spectra 1H-NMR(methyl ester, trans ene) Gardner_HW et al.: C2, 8(2.33ppm), C10(3.11ppm), C11(5.7ppm) C12(5.56ppm), C13(4.08ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18107OX01 See above. Gardner_HW et al. 1979
n.a. LBF18107OX01 See above. Gardner_HW et al. 1974
n.a. LBF18107OX01 See above. Gardner_HW et al. 1984
n.a. LBF18107OX01 See above. Sessa_DJ et al. 1977