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potassium [4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenyl] sulfate

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potassium [4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenyl] sulfate
SpectraBase Compound ID AzCRzdVG1bF
InChI InChI=1S/C20H22O11S.K/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1+;/t16-,17-,18+,19-,20-;/m1./s1
InChIKey FXIRGTOOFOQRDS-QJCKGOHYSA-M
Mol Weight 508.54 g/mol
Molecular Formula C20H21KO11S
Exact Mass 508.044164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gsXy4sIFUk
Name potassium [4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenyl] sulfate
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21KO11S
InChI InChI=1S/C20H22O11S.K/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1+;/t16-,17-,18+,19-,20-;/m1./s1
InChIKey FXIRGTOOFOQRDS-QJCKGOHYSA-M
Literature Reference Author K.XIAO,L.XUAN,Y.XU,D.BAI
Literature Reference Citation J.NAT.PROD.,63,1373(2000)
Literature Reference DOI 10.1021/np000086+
Molecular Weight 508.538 g/mol
Solvent D2O