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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9,10,13-Trihydroxy-11-Octadecenoic Acid/9,10,13-Trihydroxy-11-Octadecenoate
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Formula
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C18H34O5
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Exact Mass
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330.240624198
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Average Mass
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330.45956
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SMILES
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CCCCCC(O)C=CC(O)C(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)<<8059/8017/8056/8069/8009/8066/8012>>: m/e=545[M-CH3], 529[M-OCH3], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 387[M-173], 298[387-HOTMS]GC-EI-MS(after methanolysis, trimethylsilylation and isopropyliden derivative treatment)<<8056>>, GC-EIMS(after methanolysis, hydrogenation and trimethylsilylation)<<8009/8092>>: m/e=562[M], 547[M-CH3]
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UV Spectra
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IR Spectra
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Methyl ester: olefinic trans unsaturation(990-965cm-1), free OH(3620-3595 cm-1), bonded OH(3640-3160cm-1) <<8059/8017/8056/8069/8009/8071/8066>>
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NMR Spectra
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1H-NMR(methyl ester)<<8017/8009>>: olefinic protons(5.76ppm), C10, 13(3.7-4.2ppm) C9(3.2-3.6ppm), OH(3.6ppm)
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Other Spectra
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Chromatograms
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