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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12-Hydroxy-11,13-Dimethoxy-9-Octadecenoic Acid
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Formula
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C20H38O5
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Exact Mass
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358.271924326
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Average Mass
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358.51272
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SMILES
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C(CCC(C(C(OC)C=CCCCCCCCC(O)=O)O)OC)CC
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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)
Gardner et al.: m/e=329[M-CHOCH3(CH2)4CH3], 309[M-CH3(CH2)4-2CH3OH], 227[CHOCH3CH=CH(CH2)7COOCH3], 217[M-227](standard peak), 300[227+TMS], 115[CHOCH3(CH2)4CH3]
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UV Spectra
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IR Spectra
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Methyl ester(CS2)
Gardner et al.: cis olefin(756cm-1), bonded OH(3460cm-1), free OH(3555cm-1)
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NMR Spectra
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1H-NMR(methyl ester;CDCl3,300MHz)
Gardner et al.: C9(5.70ppm), C10(5.27ppm), C11(3.98ppm), C12(3.56ppm), C13(3.13ppm), OH(2.48ppm), C11OCH3(3.36ppm), C13OCH3(3.28ppm), J9-10=11.2Hz(cis unsaturation)
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Other Spectra
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Chromatograms
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