LBF18304HP02

Revision as of 00:00, 1 October 2008 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


Upper classes: LB LBF



GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18304HP02.png
Structural Information
Methyl-9,16-Dihydroperoxy-10,12,14-Octadecatrienoate
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after reduction and TMS-derivatization)<<8084>>, GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)<<8078/8084>>, GC-EIMS(after reduction,hydrogenation and TBDMS-derivatization)<<8078>>,CI-MS<<8089>>
UV Spectra Conjugated triene: lmax=258-260, 268-269, 278-280nm<<8078/8081/8084>>
IR Spectra OOH group: 3712-3140cm-1[bonded], 3530-3510cm-1[free]; olefinic protons: 3005cm-1; conjugated trans, cis, trans triene: 960cm-1; conjugated trans, trans, trans triene: 996-991cm-1<<8078/8081/8084>>
NMR Spectra 1H-NMR<<8081/8084>>: C2: 2.30-2.37ppm; C8,17: 1.50-1.85ppm; C9, 16: 4.34-4.42ppm; C10, 11, 12, 13, 14, 15: 5.25-6.90ppm; C18: 0.94-0.95ppm; OOH:7.70-7.94ppm
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18304HP02 See above. Frankel_EN 1983
n.a. LBF18304HP02 See above. Frankel_EN 1984
n.a. LBF18304HP02 See above. Frankel_EN et al. 1986
n.a. LBF18304HP02 See above. Fujimoto_K et al. 1984
n.a. LBF18304HP02 See above. Neff_WE et al. 1981
n.a. LBF18304HP02 See above. Neff_WE et al. 1982
n.a. LBF18304HP02 See above. Toyoda_I et al. 1982