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QUERCETIN-3-O-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID bK9eSs4oH5
InChI InChI=1S/C38H40O21/c1-52-21-7-14(8-22(53-2)27(21)45)3-6-25(44)54-13-24-29(47)31(49)33(51)37(57-24)59-36-32(50)28(46)23(12-39)56-38(36)58-35-30(48)26-19(43)10-16(40)11-20(26)55-34(35)15-4-5-17(41)18(42)9-15/h3-11,23-24,28-29,31-33,36-43,45-47,49-51H,12-13H2,1-2H3/b6-3+/t23-,24-,28+,29-,31+,32+,33-,36-,37+,38+/m1/s1
InChIKey OGKLOEXHEREECD-RWORVVEJSA-N
Mol Weight 832.7 g/mol
Molecular Formula C38H40O21
Exact Mass 832.206208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jlYgMih03s
Name QUERCETIN-3-O-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40O21
InChI InChI=1S/C38H40O21/c1-52-21-7-14(8-22(53-2)27(21)45)3-6-25(44)54-13-24-29(47)31(49)33(51)37(57-24)59-36-32(50)28(46)23(12-39)56-38(36)58-35-30(48)26-19(43)10-16(40)11-20(26)55-34(35)15-4-5-17(41)18(42)9-15/h3-11,23-24,28-29,31-33,36-43,45-47,49-51H,12-13H2,1-2H3/b6-3+/t23-,24-,28+,29-,31+,32+,33-,36-,37+,38+/m1/s1
InChIKey OGKLOEXHEREECD-RWORVVEJSA-N
Literature Reference Author F.ABE,Y.IWASE,T.YAMAUCHI,S.YAHARA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,40,577(1995)
Literature Reference DOI 10.1016/0031-9422(95)00316-Y
Molecular Weight 832.723 g/mol
Solvent C5D5N
Source File Reference UWVN3621