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QUERCETIN-3-METHYLETHER-7-O-BETA-D-GLUCOPYRANOSYL-[(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL]-(1->2)-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID HiysMhmQXf2
InChI InChI=1S/C39H50O25/c1-11-22(45)27(50)31(54)37(58-11)64-34-28(51)24(47)19(8-40)61-38(34)57-10-20-25(48)29(52)35(63-36-30(53)23(46)17(44)9-56-36)39(62-20)59-13-6-16(43)21-18(7-13)60-32(33(55-2)26(21)49)12-3-4-14(41)15(42)5-12/h3-7,11,17,19-20,22-25,27-31,34-48,50-54H,8-10H2,1-2H3/t11-,17+,19+,20+,22-,23-,24+,25+,27+,28-,29-,30+,31+,34+,35+,36-,37+,38+,39+/m0/s1
InChIKey YMUSSTHKLBCBPQ-GYXLGJQXSA-N
Mol Weight 918.8 g/mol
Molecular Formula C39H50O25
Exact Mass 918.264117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpGZb8ey3qK
Name QUERCETIN-3-METHYLETHER-7-O-BETA-D-GLUCOPYRANOSYL-[(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL]-(1->2)-BETA-D-XYLOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50O25
InChI InChI=1S/C39H50O25/c1-11-22(45)27(50)31(54)37(58-11)64-34-28(51)24(47)19(8-40)61-38(34)57-10-20-25(48)29(52)35(63-36-30(53)23(46)17(44)9-56-36)39(62-20)59-13-6-16(43)21-18(7-13)60-32(33(55-2)26(21)49)12-3-4-14(41)15(42)5-12/h3-7,11,17,19-20,22-25,27-31,34-48,50-54H,8-10H2,1-2H3/t11-,17+,19+,20+,22-,23-,24+,25+,27+,28-,29-,30+,31+,34+,35+,36-,37+,38+,39+/m0/s1
InChIKey YMUSSTHKLBCBPQ-GYXLGJQXSA-N
Literature Reference Author N.DETOMMASI,S.PIACENTE,C.PIZZA
Literature Reference Citation J.NAT.PROD.,61,973(1998)
Literature Reference DOI 10.1021/np970470f
Molecular Weight 918.811 g/mol
Solvent CD3OD
Source File Reference UWRK3409