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KAEMPFEROL-3-O-BETA-D-[2E-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]
SpectraBase Compound ID 6yvnCYwv9ou
InChI InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+/t25-,26-,27-,28+,31-,32-,33-,35+,36+,37+,38+,39-,40+,42+,44-,45-,46+,47+,48+,49+/m1/s1
InChIKey KFEVJAZSURUKLX-FLUJSUDHSA-N
Mol Weight 1111.0 g/mol
Molecular Formula C49H58O29
Exact Mass 1110.306376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmGkWu5cBco
Name KAEMPFEROL-3-O-BETA-D-[2E-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H58O29
InChI InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+/t25-,26-,27-,28+,31-,32-,33-,35+,36+,37+,38+,39-,40+,42+,44-,45-,46+,47+,48+,49+/m1/s1
InChIKey KFEVJAZSURUKLX-FLUJSUDHSA-N
Literature Reference Author J.K.NIELSEN,R.NORBAEK,C.E.OLSEN
Literature Reference Citation PHYTOCHEM.,49,2171(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00422-1
Molecular Weight 1110.982 g/mol
Solvent DMSO-D6
Source File Reference UWLU961