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QUERCETIN-3-O-BETA-D-GALACTOPYRANOSYL-7-O-ALPHA-L-[BETA-D-GLUCOPYRANOSYL-(1->4)-RHAMNOPYRANOSIDE]
SpectraBase Compound ID 7dxU9SG5GgU
InChI InChI=1S/C33H40O21/c1-9-28(53-32-25(45)22(42)19(39)16(7-34)51-32)24(44)27(47)31(48-9)49-11-5-14(38)18-15(6-11)50-29(10-2-3-12(36)13(37)4-10)30(21(18)41)54-33-26(46)23(43)20(40)17(8-35)52-33/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17-,19-,20+,22+,23+,24-,25-,26-,27+,28-,31-,32+,33+/m0/s1
InChIKey LDJDNEHEXIQBED-CIUXYCQOSA-N
Mol Weight 772.7 g/mol
Molecular Formula C33H40O21
Exact Mass 772.206208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FlbZuBZOHe
Name QUERCETIN-3-O-BETA-D-GALACTOPYRANOSYL-7-O-ALPHA-L-[BETA-D-GLUCOPYRANOSYL-(1->4)-RHAMNOPYRANOSIDE]
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O21
InChI InChI=1S/C33H40O21/c1-9-28(53-32-25(45)22(42)19(39)16(7-34)51-32)24(44)27(47)31(48-9)49-11-5-14(38)18-15(6-11)50-29(10-2-3-12(36)13(37)4-10)30(21(18)41)54-33-26(46)23(43)20(40)17(8-35)52-33/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17-,19-,20+,22+,23+,24-,25-,26-,27+,28-,31-,32+,33+/m0/s1
InChIKey LDJDNEHEXIQBED-CIUXYCQOSA-N
Literature Reference Author K.R.MARKHAM,K.R.W.HAMMETT,D.J.OFMAN
Literature Reference Citation PHYTOCHEM.,31,549(1992)
Literature Reference DOI 10.1016/0031-9422(92)90036-P
Molecular Weight 772.668 g/mol
Solvent DMSO-D6
Source File Reference UWLU5424