LBF18106EO01: Difference between revisions

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Upper classes: LB LBF



9,10-Epoxy-12-Octadecenoic Acid
LBF18106EO01.png
Structural Information
9,10-Epoxy-12-Octadecenoic Acid
  • 9,10-Epoxy-12-Octadecenoic Acid
  • 9,10-Epoxy-12-Octadecenoate
Formula C18H32O3
Exact Mass 296.23514489
Average Mass 296.44488
SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS Neff_WE et al.: m/e= 310[M], 279[M-OCH3], 199[M-CH3(CH2)4CH=CHCH2], 153[M-(CH2)7-COOCH3], GC-EI-MS(after solvolysation-trimethylsilylation in MeOH) Wu_GS et al.
UV Spectra
IR Spectra Olefinic(3002cm-1), cis unsaturation(718cm-1), cis epoxide(835-815cm-1) Neff_WE et al.
NMR Spectra 1H-NMR Neff_WE et al.: olefinic protons(5.44ppm), isolated cis epoxide(2.92ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18106EO01 See above. Kato_T et al. 1986
n.a. LBF18106EO01 See above. Neff_WE et al. 1978
n.a. LBF18106EO01 See above. Wu_GS et al. 1977