LBF18109MO03: Difference between revisions

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Upper classes: LB LBF



12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
LBF18109MO03.png
Structural Information
12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
  • 12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
Formula C19H36O5
Exact Mass 344.256274262
Average Mass 344.48614000000003
SMILES CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra Methyl ester(CS2) Gardner et al.: cis olefin(750cm-1), OH(3550 and 3490cm-1)
NMR Spectra 1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18109MO03 See above. Gardner_HW et al. 1984