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KAEMPFEROL-3-O-(2-O-TRANS-PARA-METHOXYCOUMAROYL-6-O-TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BYc0DGz97jw
InChI InChI=1S/C40H34O15/c1-50-27-14-4-22(5-15-27)7-17-32(46)54-39-36(49)34(47)30(20-51-31(45)16-6-21-2-10-24(41)11-3-21)53-40(39)55-38-35(48)33-28(44)18-26(43)19-29(33)52-37(38)23-8-12-25(42)13-9-23/h2-19,30,34,36,39-44,47,49H,20H2,1H3/b16-6+,17-7+/t30-,34-,36+,39-,40+/m0/s1
InChIKey ZPEBZKKBUJXECJ-KWEKVNDJSA-N
Mol Weight 754.7 g/mol
Molecular Formula C40H34O15
Exact Mass 754.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Puz0HW7YBa
Name KAEMPFEROL-3-O-(2-O-TRANS-PARA-METHOXYCOUMAROYL-6-O-TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H34O15
InChI InChI=1S/C40H34O15/c1-50-27-14-4-22(5-15-27)7-17-32(46)54-39-36(49)34(47)30(20-51-31(45)16-6-21-2-10-24(41)11-3-21)53-40(39)55-38-35(48)33-28(44)18-26(43)19-29(33)52-37(38)23-8-12-25(42)13-9-23/h2-19,30,34,36,39-44,47,49H,20H2,1H3/b16-6+,17-7+/t30-,34-,36+,39-,40+/m0/s1
InChIKey ZPEBZKKBUJXECJ-KWEKVNDJSA-N
Literature Reference Author Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY
Literature Reference Citation PHYTOCHEM.,69,2070(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.03.020
Molecular Weight 754.701 g/mol
Sample ID 63222
Solvent C5D5N