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-9,16-Dihydroperoxy-10,12,14-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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COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO
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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>>, GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)<<8078/8084>>, GC-EIMS(after reduction,hydrogenation and TBDMS-derivatization)<<8078>>,CI-MS<<8089>>
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UV Spectra
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Conjugated triene: lmax=258-260, 268-269, 278-280nm<<8078/8081/8084>>
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IR Spectra
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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>>
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NMR Spectra
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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
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Other Spectra
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Chromatograms
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