John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10cJKSxK2Xp SpectraBase Spectrum ID=9tvWbAU2cxY

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CALYCOSIN-7-O-BETA-D-GLUCOPYRANOSIDE;7,3'-DIHYDROXY-4'-METHOXY-ISOFLAVONE-7-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 10cJKSxK2Xp
InChI InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey WACBUPFEGWUGPB-MIUGBVLSSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tvWbAU2cxY
Name CALYCOSIN-7-O-BETA-D-GLUCOPYRANOSIDE;7,3'-DIHYDROXY-4'-METHOXY-ISOFLAVONE-7-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey WACBUPFEGWUGPB-MIUGBVLSSA-N
Literature Reference Author X.DU,Y.BAI,H.LIANG,Z.WANG,Y.ZHAO,Q.ZHANG,L.HUANG
Literature Reference Citation MAGN.RES.CHEM.,44,708(2006)
Literature Reference DOI 10.1002/mrc.1806
Molecular Weight 446.411 g/mol
Sample ID 40810
Solvent DMSO-D6
SpectraBase Batch ID CItbT4uKMGo