LBF18107HO01

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Upper classes: LB LBF



10-Ethoxy-9,13-dihydroxy-11-octadecenoic acid
LBF18107HO01.png
Structural Information
Systematic Name 10-Ethoxy-9,13-dihydroxy-11-octadecenoic acid
Common Name
  • 10-Ethoxy-9,13-dihydroxy-11-octadecenoic acid
Symbol
Formula C20H38O5
Exact Mass 358.271924326
Average Mass 358.51272
SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond: trans] Gardner_HW et al.. A bitter substansce in lecithin Sessa_DJ et al.. Production mechanism.
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Neff_WE et al.: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]
UV Spectra
IR Spectra Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1) Gardner_HW et al. Sessa_DJ et al.
NMR Spectra 1H-NMR: C9, 10(3.62ppm), C11, 12(5.63ppm), C13(4.12ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) Gardner_HW et al. Neff_WE et al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18107HO01 See above. Gardner_HW et al. 1974
n.a. LBF18107HO01 See above. Neff_WE et al. 1978
n.a. LBF18107HO01 See above. Sessa_DJ et al. 1977


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