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2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(6-O-[(E)-3-PHENYLPROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLOXY)-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID 51WcX5RSQMk
InChI InChI=1S/C30H26O13/c31-16-11-19(34)23-20(12-16)41-28(15-7-8-17(32)18(33)10-15)29(25(23)37)43-30-27(39)26(38)24(36)21(42-30)13-40-22(35)9-6-14-4-2-1-3-5-14/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b9-6+/t21-,24-,26+,27-,30+/m1/s1
InChIKey KMENQJWUTVOHLS-FCQUEXMPSA-N
Mol Weight 594.53 g/mol
Molecular Formula C30H26O13
Exact Mass 594.137341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cPHRJr8eNh
Name 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(6-O-[(E)-3-PHENYLPROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLOXY)-4H-1-BENZOPYRAN-4-ONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O13
InChI InChI=1S/C30H26O13/c31-16-11-19(34)23-20(12-16)41-28(15-7-8-17(32)18(33)10-15)29(25(23)37)43-30-27(39)26(38)24(36)21(42-30)13-40-22(35)9-6-14-4-2-1-3-5-14/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b9-6+/t21-,24-,26+,27-,30+/m1/s1
InChIKey KMENQJWUTVOHLS-FCQUEXMPSA-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 594.529 g/mol
Solvent DMSO-D6
Source File Reference UWSK2275