GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
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Structural Information
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Methyl-13,15-Dihydroperoxy-9,11,16-Octadecatrienoate
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Formula
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C19H32O6
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Exact Mass
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356.219888756
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Average Mass
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356.45378
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SMILES
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CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC
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Physicochemical Information
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Spectral Information
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Mass Spectra
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GC-EI-MS(after reduction and TMS-derivatization)<<8084>>: m/e=468[M]; 453[M-OCH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[SMTO=CHCH=CHCH=CH(CH2)7COOCH3]; 143[SMTO=CHCH=CHCH3]
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UV Spectra
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Conjugated diene: lmax=234-235nm<<8084>>
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IR Spectra
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OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated cis, trans diene: 985-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1<<8084>>
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NMR Spectra
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1H-NMR<<8084>>: C2: 2.31-2.32ppm; C8, 14: 1.8-2.2ppm; C9, 10, 12, 16, 17: 5.25-6.20ppm; C11: 6.63ppm; C13, 15: 4.48-4.50ppm; C18: 1.8ppm; OOH: 7.94-8.08ppm<<8084>>
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Other Spectra
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Chromatograms
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