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QUIQUESETINERVIUSIDE_E;(3,6-O-DI-FERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(4-O-PARA-COUMAROYL-2-O-ACETYL)-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 4lm8Rv0G98l
InChI InChI=1S/C43H46O20/c1-23(46)58-40-38(54)39(60-35(51)16-8-24-4-11-27(47)12-5-24)32(20-44)59-42(40)63-43(22-45)41(61-36(52)17-10-26-7-14-29(49)31(19-26)56-3)37(53)33(62-43)21-57-34(50)15-9-25-6-13-28(48)30(18-25)55-2/h4-19,32-33,37-42,44-45,47-49,53-54H,20-22H2,1-3H3/b15-9+,16-8+,17-10+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1
InChIKey XUUYFZFGEKDAMM-KLQZTFCGSA-N
Mol Weight 882.8 g/mol
Molecular Formula C43H46O20
Exact Mass 882.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W4QdmcXzqm
Name QUIQUESETINERVIUSIDE_E;(3,6-O-DI-FERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(4-O-PARA-COUMAROYL-2-O-ACETYL)-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H46O20
InChI InChI=1S/C43H46O20/c1-23(46)58-40-38(54)39(60-35(51)16-8-24-4-11-27(47)12-5-24)32(20-44)59-42(40)63-43(22-45)41(61-36(52)17-10-26-7-14-29(49)31(19-26)56-3)37(53)33(62-43)21-57-34(50)15-9-25-6-13-28(48)30(18-25)55-2/h4-19,32-33,37-42,44-45,47-49,53-54H,20-22H2,1-3H3/b15-9+,16-8+,17-10+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1
InChIKey XUUYFZFGEKDAMM-KLQZTFCGSA-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 882.826 g/mol
Sample ID 36290
Solvent CD3OD