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KAEMPFEROL-3-O-[2''-O-6'''-O-[PARA-(7''''-O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL]-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID 7UyQZM0S7Ye
InChI InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
InChIKey IYWSDKILEAGLBX-YTUFKZFNSA-N
Mol Weight 902.8 g/mol
Molecular Formula C42H46O22
Exact Mass 902.248073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTAtm3lzNdY
Name KAEMPFEROL-3-O-[2''-O-6'''-O-[PARA-(7''''-O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL]-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46O22
InChI InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
InChIKey IYWSDKILEAGLBX-YTUFKZFNSA-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 902.814 g/mol
Solvent CD3OD
Source File Reference UWVN5238