LBF18109EO02

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Upper classes: LB LBF



12,13-Epoxy-11-hydroxy-9-octadecenoate
LBF18109EO02.png
Structural Information
Systematic Name 12,13-Epoxy-11-hydroxy-9-octadecenoic acid
Common Name
  • 12,13-Epoxy-11-hydroxy-9-octadecenoate
Symbol
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES C(C(C(O)C=CCCCCCCCC(O)=O)1)(CCCCC)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source 13-Hydroperoxylinoleate in EtOH-water[the epoxide ring and OH show threo configuration] Hamberg_M et al.. A degradation product in the presence of Fe(III)-cystein[the epoxy ring: trans, the double bond: cis or trans] Gardner_HW et al. Gardner_HW et al. or hemoglobin[threo type: 80%, erythro type: 20%] Hamberg_M Hamberg_M .
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) HambergMet al. Gardner_HW et al. StreckertGet al. Garssen_GJ et al. Gardner_HW et al. Neff_WE et al. HambergM: m/e=398[M], 298[M-CH3(CH2)4CHO], 285[SMTO=CH-CH=CH(CH2)7COOCH3], 241[M-(CH2)7-COOCH3], 113[CH-(-O-)-CH-(CH2)4CH3]; GC-EI-MS(after methanolysis, trimethylsilylation and hydrogenation) StreckertGet al.
UV Spectra
IR Spectra Methyl ester: trans olefin(980-962cm-1), trans epoxide(900-890cm-1), OH(3590-3300cm-1) HambergMet al. Gardner_HW et al. GalliardTet al. StreckertGet al. SchieberlePet al.
NMR Spectra 1H-NMR Gardner_HW et al. GalliardTet al. Garssen_GJ et al. Gardner_HW et al. Neff_WE et al.:trans-epoxy-cis-ene: C8(2.08ppm), C9(5.60-5.65ppm), C10(5.32-5.46ppm), C11(4.25-4.63ppm), C12(2.77-2.78ppm), C13(2.92-3.0ppm), J9-10=11Hz, J10-11=8Hz, J11-12=3-5Hz, J12-13=2-2.5Hz, trans-epoxy-trans-ene: C8(2.06ppm), C9, 10(5.54ppm)
Other Spectra ORD analysis Gardner_HW et al. Gardner_HW et al. Gardner et al.
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18109EO02 See above. Galliard_T et al. 1975
n.a. LBF18109EO02 See above. Gardner_HW et al. 1981
n.a. LBF18109EO02 See above. Gardner_HW et al. 1974
n.a. LBF18109EO02 See above. Gardner_HW et al. 1984
n.a. LBF18109EO02 See above. Gardner_HW et al. 1984
n.a. LBF18109EO02 See above. Garssen_GJ et al. 1976
n.a. LBF18109EO02 See above. Hamberg_M 1983
n.a. LBF18109EO02 See above. Hamberg_M 1975
n.a. LBF18109EO02 See above. Hamberg_M et al. 1973
n.a. LBF18109EO02 See above. Neff_WE et al. 1978
n.a. LBF18109EO02 See above. Schieberle_P et al. 1981
n.a. LBF18109EO02 See above. Streckert_G et al. 1975


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