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QUERCETIN-3-O-(2''-O-ALPHA-RHAMNOPYRANOSYL-6''-O-MALONYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 47xX6pLae3A
InChI InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24-,25+,28+,29-,30-/m0/s1
InChIKey NTHFGJOIFSTXSI-VOGLLJHSSA-N
Mol Weight 696.6 g/mol
Molecular Formula C30H32O19
Exact Mass 696.153779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ajl9yhnGVLf
Name QUERCETIN-3-O-(2''-O-ALPHA-RHAMNOPYRANOSYL-6''-O-MALONYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32O19
InChI InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24-,25+,28+,29-,30-/m0/s1
InChIKey NTHFGJOIFSTXSI-VOGLLJHSSA-N
Literature Reference Author K.KAZUMA,N.NODA,M.SUZUKI
Literature Reference Citation PHYTOCHEM.,62,229(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00486-7
Molecular Weight 696.573 g/mol
Solvent DMSO-D6
Source File Reference UWMS28351