11,12,13-Trihydroxy-9-Octadecenoic Acid
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Structural Information
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11,12,13-Trihydroxy-9-Octadecenoic Acid
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- 11,12,13-Trihydroxy-9-Octadecenoic Acid
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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(O)C(O)C=CCCCCCCCC(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)
Gardner_HW et al.: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173]
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UV Spectra
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IR Spectra
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Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1)
Gardner_HW et al.
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NMR Spectra
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1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm)
Gardner_HW et al.
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Other Spectra
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Chromatograms
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