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-Ethoxy-9,13-Dihydroxy-10-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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OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC
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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_HW et al.
Neff_WE et al.: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak]
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UV Spectra
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IR Spectra
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Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1)
Gardner_HW et al.
Neff_WE et al.
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NMR Spectra
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1H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm)
Gardner_HW et al.
Neff_WE et al.
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Other Spectra
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Chromatograms
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