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QUERCETIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)-BETA-GALACTOPYRANOSIDE]
SpectraBase Compound ID LGwUnU8JNcs
InChI InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10+,17-,19-,20+,22+,23+,24+,25+,26-,27-,28+,31-,32-,33+/m1/s1
InChIKey PWFJILMZPHBSAY-FQQTYLBESA-N
Mol Weight 756.7 g/mol
Molecular Formula C33H40O20
Exact Mass 756.211294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpMWavLHHj2
Name QUERCETIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)-BETA-GALACTOPYRANOSIDE]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O20
InChI InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10+,17-,19-,20+,22+,23+,24+,25+,26-,27-,28+,31-,32-,33+/m1/s1
InChIKey PWFJILMZPHBSAY-FQQTYLBESA-N
Literature Reference Author R.F.WEBBY,K.R.MARKHAM
Literature Reference Citation PHYTOCHEM.,29,289(1990)
Literature Reference DOI 10.1016/0031-9422(90)89052-B
Molecular Weight 756.669 g/mol
Solvent DMSO-D6
Source File Reference UWMZ25636