LBF18206EO01

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Upper classes: LB LBF



GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18206EO01.png
Structural Information
Methyl-15,16-Epoxy-9,12-Octadecadienoate
Formula C19H32O3
Exact Mass 308.23514489
Average Mass 308.45558
SMILES C(CC=CCC=CCCCCCCCC(=O)OC)(O1)C(CC)1
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS<<8084>>: m/e=308[M]; 279[CH-(O)-CHCH2CH=CHCH2CH=CH(CH2)7COOCH3]; 277[M -OCH3]; 251[279-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]; GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 255[CH-(O)-CH(CH2)13COOCH3-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]
UV Spectra
IR Spectra Cis unsaturation: 3002cm-1<<8081>>
NMR Spectra 1H-NMR<<8081>>: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H]
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18206EO01 See above. Neff_WE et al. 1981
n.a. LBF18206EO01 See above. Neff_WE et al. 1982