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

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sodium [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-3-yl] sulfate
SpectraBase Compound ID 6QJhmZmnsmT
InChI InChI=1S/C20H22O11S.Na/c21-10-16-17(24)18(25)19(31-32(26,27)28)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 HLKGCVMSJHAIRI-DQYPSGOSSA-M
Mol Weight 492.43 g/mol
Molecular Formula C20H21NaO11S
Exact Mass 492.070227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lUhH0FY1pj
Name sodium [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-3-yl] sulfate
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21NaO11S
InChI InChI=1S/C20H22O11S.Na/c21-10-16-17(24)18(25)19(31-32(26,27)28)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 HLKGCVMSJHAIRI-DQYPSGOSSA-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 492.430 g/mol
Solvent D2O