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QUERCETIN-3-O-[[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-[BETA-D-APIOFURANOSYL-(1->2)]]-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 2070GWV6829
InChI InChI=1S/C37H46O24/c1-11-21(44)29(59-33-26(49)22(45)17(43)7-53-33)27(50)34(56-11)54-8-19-23(46)25(48)31(61-36-32(51)37(52,9-38)10-55-36)35(58-19)60-30-24(47)20-16(42)5-13(39)6-18(20)57-28(30)12-2-3-14(40)15(41)4-12/h2-6,11,17,19,21-23,25-27,29,31-36,38-46,48-52H,7-10H2,1H3/t11-,17+,19+,21-,22-,23-,25-,26+,27+,29+,31+,32-,33-,34+,35-,36+,37+/m1/s1
InChIKey DJANCFXQRLPCSH-CICYIUJCSA-N
Mol Weight 874.8 g/mol
Molecular Formula C37H46O24
Exact Mass 874.237902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hl4koPYSQ2
Name QUERCETIN-3-O-[[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-[BETA-D-APIOFURANOSYL-(1->2)]]-BETA-D-GALACTOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O24
InChI InChI=1S/C37H46O24/c1-11-21(44)29(59-33-26(49)22(45)17(43)7-53-33)27(50)34(56-11)54-8-19-23(46)25(48)31(61-36-32(51)37(52,9-38)10-55-36)35(58-19)60-30-24(47)20-16(42)5-13(39)6-18(20)57-28(30)12-2-3-14(40)15(41)4-12/h2-6,11,17,19,21-23,25-27,29,31-36,38-46,48-52H,7-10H2,1H3/t11-,17+,19+,21-,22-,23-,25-,26+,27+,29+,31+,32-,33-,34+,35-,36+,37+/m1/s1
InChIKey DJANCFXQRLPCSH-CICYIUJCSA-N
Literature Reference Author N.SEMMAR,B.FENET,K.GLUCHOFF-FIASSON,A.HASAN,M.JAY
Literature Reference Citation J.NAT.PROD.,65,576(2002)
Literature Reference DOI 10.1021/np010328l
Molecular Weight 874.758 g/mol
Solvent DMSO-D6
Source File Reference UWSI5633