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potassium [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-4-yl] sulfate

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potassium [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-4-yl] sulfate
SpectraBase Compound ID BPLBUqcZ5D
InChI InChI=1S/C20H22O11S.K/c21-10-16-17(24)19(31-32(26,27)28)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1-;/t16-,17-,18-,19+,20-;/m1./s1
InChIKey PLFHXQSHMLLRHE-WVPXEQGASA-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 J4Y27fUpwfM
Name potassium [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-4-yl] sulfate
Compound Number 8
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(24)19(31-32(26,27)28)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1-;/t16-,17-,18-,19+,20-;/m1./s1
InChIKey PLFHXQSHMLLRHE-WVPXEQGASA-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 DMSO-D6