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QUERCETIN-3-O-[2''-O-6'''-O-[PARA-(7''''-O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL]-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID 5bD5By22UIn
InChI InChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
InChIKey SENXSEXWQKRDKG-XJRUTDMXSA-N
Mol Weight 918.8 g/mol
Molecular Formula C42H46O23
Exact Mass 918.242988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHBdHG76cAK
Name QUERCETIN-3-O-[2''-O-6'''-O-[PARA-(7''''-O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL]-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46O23
InChI InChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
InChIKey SENXSEXWQKRDKG-XJRUTDMXSA-N
Literature Reference Author A.HASLER,G.A.GROSS,B.MEIER,O.STICHER
Literature Reference Citation PHYTOCHEM.,31,1391(1992)
Literature Reference DOI 10.1016/0031-9422(92)80298-S
Molecular Weight 918.813 g/mol
Solvent CD3OD
Source File Reference UWVN5240