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(E)-1-(3-(6'-O-OCTANOYL)-BETA-D-GLUCOPYRANOSYLOXY-5-HYDROXYPHENYL)-2-(4-HYDROXYPHENYL)-ETHENE
SpectraBase Compound ID LRjZKWvH7dN
InChI InChI=1S/C28H36O9/c1-2-3-4-5-6-7-24(31)35-17-23-25(32)26(33)27(34)28(37-23)36-22-15-19(14-21(30)16-22)9-8-18-10-12-20(29)13-11-18/h8-16,23,25-30,32-34H,2-7,17H2,1H3/b9-8+
InChIKey JXYZHWPPADODGH-CMDGGOBGSA-N
Mol Weight 516.6 g/mol
Molecular Formula C28H36O9
Exact Mass 516.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ECKMPOA2hf
Name (E)-1-(3-(6'-O-OCTANOYL)-BETA-D-GLUCOPYRANOSYLOXY-5-HYDROXYPHENYL)-2-(4-HYDROXYPHENYL)-ETHENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O9
InChI InChI=1S/C28H36O9/c1-2-3-4-5-6-7-24(31)35-17-23-25(32)26(33)27(34)28(37-23)36-22-15-19(14-21(30)16-22)9-8-18-10-12-20(29)13-11-18/h8-16,23,25-30,32-34H,2-7,17H2,1H3/b9-8+
InChIKey JXYZHWPPADODGH-CMDGGOBGSA-N
Literature Reference Author M.LARROSA,J.TOME-CARNEIRO,M.J.YANEZ-GASCON,D.ALCANTARA,M.V.S ELMA,D.BELTRAN,M.T.G
Literature Reference Citation J.MED.CHEM.,53,7365(2010)
Literature Reference DOI 10.1021/jm1007006
Molecular Weight 516.588 g/mol
Solvent CD3OD
Source File Reference UWMZ47579