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QUERCETIN-3-O-(6-TRANS-PARA-COUMAROYL)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-GLUCOPYRANO-SIDE-7-O-ALPHA-RHAMNOPYRANOSIDE
SpectraBase Compound ID 7NXfAo4LfeG
InChI InChI=1S/C42H46O23/c1-15-28(49)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)38(31(27)52)64-42-39(34(55)29(50)24(13-43)62-42)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16/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 JHYIWORKFFMOIP-WBHBZCBISA-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 BKI8A4xnp51
Name QUERCETIN-3-O-(6-TRANS-PARA-COUMAROYL)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-GLUCOPYRANO-SIDE-7-O-ALPHA-RHAMNOPYRANOSIDE
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)32(53)35(56)40(59-15)60-19-11-22(47)27-23(12-19)61-37(17-5-8-20(45)21(46)10-17)38(31(27)52)64-42-39(34(55)29(50)24(13-43)62-42)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16/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 JHYIWORKFFMOIP-WBHBZCBISA-N
Literature Reference Author G.FICO,A.BRACA,A.R.BILIA,F.TOME,I.MORELLI
Literature Reference Citation PLANTA.MED.,67,287(2001)
Literature Reference DOI 10.1055/s-2001-11994
Molecular Weight 918.813 g/mol
Solvent CD3OD
Source File Reference UIAP1538