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2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(6-O-[(E)-3-(4-HYDROXY-3-METHOXYPHENYL)-PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSLOXY)-4H-1-BENZOPYRAN-4-ONE

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2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(6-O-[(E)-3-(4-HYDROXY-3-METHOXYPHENYL)-PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSLOXY)-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID Lj9o2dL2Yc5
InChI InChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28-,31+/m1/s1
InChIKey PSBFVXDMNYDZMV-SMTCTBLTSA-N
Mol Weight 640.55 g/mol
Molecular Formula C31H28O15
Exact Mass 640.14282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eD14yqw5KY
Name 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(6-O-[(E)-3-(4-HYDROXY-3-METHOXYPHENYL)-PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSLOXY)-4H-1-BENZOPYRAN-4-ONE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O15
InChI InChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28-,31+/m1/s1
InChIKey PSBFVXDMNYDZMV-SMTCTBLTSA-N
Literature Reference Author B.DANIELI,A.BERTARIO,G.CARREA,B.REDIGOLO,F.SECUNDO,S.RIVA
Literature Reference Citation HELV.CHIM.ACTA,76,2981(1993)
Literature Reference DOI 10.1002/hlca.19930760823
Molecular Weight 640.554 g/mol
Solvent DMSO-D6
Source File Reference UWSK2276