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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9-Hydroxy-10,12-Octadecadienoic Acid/9-Hydroxy-10,12-Octadecadienoate
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Formula
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C18H32O3
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Exact Mass
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296.23514489
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Average Mass
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296.44488
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SMILES
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CCCCCC=CC=CC(O)CCCCCCCC(O)=O
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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 methanolysis and trimethylsilylation)<<8059/8018/8012>>: m/e=382[M], 367[M-CH3], 351[M-OCH3], 311[M-(CH2)4CH3], 225[M-(CH2)7COOCH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059>>, GC-EI-MS(after methanolysis and hydrogenation)<<8064>>
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UV Spectra
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Methyl ester: l/max=231, 233, 234nm <<8071>>
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IR Spectra
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Methyl ester: trans, trans isomer: trans, trans conjugated diene(985cm-1), free OH(3600cm-1), bonded OH(3695-3318cm-1), trans, cis isomer: trans, cis conjugated diene(990, 968cm-1), olefinic(3005cm-1), free OH(3600cm-1), bonded OH(3700-3160cm-
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NMR Spectra
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1H-NMR(methyl ester): trans, trans olefinic protons(5.41ppm), trans,cis olefinic protons(5.91ppm), C9(4.15-4.20ppm), C14(2.07-2.10ppm)<<8017/8071>>
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Other Spectra
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Chromatograms
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