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KAEMPHEROL-3-O-BETA-D-(2''-TRANS-PARA-COUMAROYL)-RUTINOSIDE
SpectraBase Compound ID DPFlTiMxuqy
InChI InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23-,26-,27-,29+,30+,31+,34-,35+,36+/m1/s1
InChIKey GOLQQIJBGPATQF-VPLHJEAQSA-N
Mol Weight 740.7 g/mol
Molecular Formula C36H36O17
Exact Mass 740.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH1qMZeszNB
Name KAEMPHEROL-3-O-BETA-D-(2''-TRANS-PARA-COUMAROYL)-RUTINOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36O17
InChI InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23-,26-,27-,29+,30+,31+,34-,35+,36+/m1/s1
InChIKey GOLQQIJBGPATQF-VPLHJEAQSA-N
Literature Reference Author R.S.G.OLEA,N.F.ROQUE,V.D.S.BOLZANI
Literature Reference Citation J.BRAZ.CHEM.SOC.,8,257(1997)
Molecular Weight 740.672 g/mol
Solvent DMSO-D6
Source File Reference UWPA1216