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-10,12-Epidioxy-9-Hydroperoxy-13,15-Octadecadienoate
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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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C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=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(PH3P) and TMS)<<8081>>: m/e=397[M-CH3]; 259[SMTO=CH(CH2)7COOCH3]; GC-EI-MS(after reduction with NaBH4 or KI andTMS)<<8077>>: m/e=259[SMTO=CH(CH2)7COOCH3]; 183[SMTO=CH-CH=CH-CH=CH-CH2CH3]
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UV Spectra
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Conjugated diene: lmax=231-236nm <<8078/8081/8083/8084>>
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IR Spectra
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OOH group: 3520 cm-1[free], 3700-3100cm-1[bonded]; olefinic protons: 3020-3000cm-1; CONJUGATE TRANS, CIS DIENES: 990-980cm-1, 955-947cm-1<<8079/8081/8083/8084/8085>>
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NMR Spectra
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1H-NMR<<8081/8084/8083>>: C9: 3.92-4.21; C10: 4.45-4.47; C11: 2.19-2.47, 2.81-2.87; C12: 4.77-4.80; C13: 5.57-5.62; C14: 6.65-6.68; C15: 5.96-6.65; C16: 5.50-5.55; OOH: 9.05-9.56ppm; J13-14=15Hz[C13-14 : trans]; J15-16=10Hz[C15-16: cis]13C-NMR<<8081/8084>>: C9: 86.0; C10, 12: 83.8, 83.0
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Other Spectra
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Chromatograms
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