GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
|
|
Structural Information
|
|
Methyl-9,12-Dihydroperoxy-10,13,15-Octadecatrienoate
|
|
|
|
|
Formula
|
C19H32O6
|
Exact Mass
|
356.219888756
|
Average Mass
|
356.45378
|
SMILES
|
CCC=CC=CC(OO)C=CC(OO)CCCCCCCC(=O)OC
|
Physicochemical Information
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Spectral Information
|
Mass Spectra
|
GC-EI-MS(after reduction and TMS-derivatization)
Neff_WE et al.: m/e=453[M-CH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[M-(CH2)7COOCH3]; 221[311-HOTMS]; 157[(CH2)7COOCH3], GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)(102) m/e=443[M-OCH3]
|
UV Spectra
|
Conjugated diene: lmax=233-235nm
Neff_WE et al.
Neff_WE et al.
|
IR Spectra
|
OOH group: 3712-3140cm-1[bonded], 3530-3510cm-1[free]; olefinic protons: 3005cm-1; conjugated trans, cis diene: 988-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1
Neff_WE et al.
Neff_WE et al.
|
NMR Spectra
|
1H-NMR
Neff_WE et al.
Neff_WE et al.: C2: 2.3ppm; C8, 17: 1.8-2.2ppm; C9, 12: 4.40-4.42, 4.86ppm; C10, 11, 13, 14, 15, 16: 5.26-6.28ppm; C18: 1.02ppm; OOH: 8.07ppm
|
Other Spectra
|
|
Chromatograms
|
|