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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12,13-Epoxy-9-Hydroperoxy-10-Octadecenoic Acid
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Formula
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C18H32O5
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Exact Mass
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328.224974134
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Average Mass
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328.44368000000003
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SMILES
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C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1
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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, reduction and trimethylsilylation)<<8052/8061>>
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UV Spectra
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IR Spectra
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Isorated trans unsaturation(970cm-1), trans epoxide(885cm-1), OOH(3600 AND 3430cm-1) <<8052>>
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NMR Spectra
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1H-NMR(methyl ester)<<8052>>: C9(4.33ppm), C10(5.85ppm), C11(5.47ppm), C12(3.11ppm), C13(2.84ppm) J10-11=16Hz(trans olefin), J12-13=2Hz(trans epoxide)
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Other Spectra
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Chromatograms
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