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QUIQUESETINERVIUSIDE_B;(3,6-O-DI-FERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(4-O-FERULOYL)-6-ACETYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3xj3BPJIGMK
InChI InChI=1S/C44H48O21/c1-23(46)59-21-34-41(62-36(51)15-9-25-6-12-28(48)31(18-25)57-3)39(54)40(55)43(61-34)65-44(22-45)42(63-37(52)16-10-26-7-13-29(49)32(19-26)58-4)38(53)33(64-44)20-60-35(50)14-8-24-5-11-27(47)30(17-24)56-2/h5-19,33-34,38-43,45,47-49,53-55H,20-22H2,1-4H3/b14-8+,15-9+,16-10+/t33-,34-,38-,39-,40-,41-,42+,43-,44+/m0/s1
InChIKey HABBCKWVVYIFHX-WILRTQAMSA-N
Mol Weight 912.8 g/mol
Molecular Formula C44H48O21
Exact Mass 912.268809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CO11FzWQWBU
Name QUIQUESETINERVIUSIDE_B;(3,6-O-DI-FERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(4-O-FERULOYL)-6-ACETYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48O21
InChI InChI=1S/C44H48O21/c1-23(46)59-21-34-41(62-36(51)15-9-25-6-12-28(48)31(18-25)57-3)39(54)40(55)43(61-34)65-44(22-45)42(63-37(52)16-10-26-7-13-29(49)32(19-26)58-4)38(53)33(64-44)20-60-35(50)14-8-24-5-11-27(47)30(17-24)56-2/h5-19,33-34,38-43,45,47-49,53-55H,20-22H2,1-4H3/b14-8+,15-9+,16-10+/t33-,34-,38-,39-,40-,41-,42+,43-,44+/m0/s1
InChIKey HABBCKWVVYIFHX-WILRTQAMSA-N
Literature Reference Author C.L.CHANG,L.J.ZHANG,R.Y.CHEN,L.M.Y.KUO,J.P.HUANG,H.C.HUANG,K .H.LEE,Y.C.WU,Y.H.KU
Literature Reference Citation J.NAT.PROD.,73,1482(2010)
Literature Reference DOI 10.1021/np100181c
Molecular Weight 912.853 g/mol
Sample ID 36287
Solvent CD3OD