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KAEMPFEROL-3-O-(2'',6''-DI-O-(E)-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID KKi4YgGe5aN
InChI InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35+,38-,39+/m1/s1
InChIKey YXXQUJGFZPLXJV-AIBWQOBZSA-N
Mol Weight 740.7 g/mol
Molecular Formula C39H32O15
Exact Mass 740.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Qv82eaW5r8
Name KAEMPFEROL-3-O-[2'',6''-DI-O-(E,E)-PARA-COUMAROYL-BETA-GLUCOPYRANOSIDE]
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H32O15
InChI InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)35(49)38(53-31(46)16-6-21-3-11-24(41)12-4-21)39(52-29)54-37-34(48)32-27(44)17-26(43)18-28(32)51-36(37)22-7-13-25(42)14-8-22/h1-18,29,33,35,38-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35+,38-,39+/m1/s1
InChIKey YXXQUJGFZPLXJV-AIBWQOBZSA-N
Literature Reference Author R.J.GRAYER,M.I.THABREW,R.D.HUGHES,S.BRETHERTON,A.LEVER,N.C.V EITCH,G.C.KITE
Literature Reference Citation PHARM.BIOL.,46,154(2008)
Literature Reference DOI 10.1080/13880200701538682
Molecular Weight 740.674 g/mol
Solvent CD3OD
Source File Reference UWBT16730