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BETA-(3,6-DI-O-FERULOYL)-FRUCTOFURANOSYL-ALPHA-(2',3',4',6'-TETRA-O-ACETYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 6swUPvqOitW
InChI InChI=1S/C40H46O21/c1-20(42)53-18-31-35(55-21(2)43)36(56-22(3)44)37(57-23(4)45)39(58-31)61-40(19-41)38(59-33(49)14-10-25-8-12-27(47)29(16-25)52-6)34(50)30(60-40)17-54-32(48)13-9-24-7-11-26(46)28(15-24)51-5/h7-16,30-31,34-39,41,46-47,50H,17-19H2,1-6H3/b13-9+,14-10+/t30-,31-,34-,35-,36+,37-,38+,39-,40+/m1/s1
InChIKey IPRHKRXADCWGNJ-QVDICECUSA-N
Mol Weight 862.8 g/mol
Molecular Formula C40H46O21
Exact Mass 862.253158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ipaQaUmeQ1
Name BETA-(3,6-DI-O-FERULOYL)-FRUCTOFURANOSYL-ALPHA-(2',3',4',6'-TETRA-O-ACETYL)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O21
InChI InChI=1S/C40H46O21/c1-20(42)53-18-31-35(55-21(2)43)36(56-22(3)44)37(57-23(4)45)39(58-31)61-40(19-41)38(59-33(49)14-10-25-8-12-27(47)29(16-25)52-6)34(50)30(60-40)17-54-32(48)13-9-24-7-11-26(46)28(15-24)51-5/h7-16,30-31,34-39,41,46-47,50H,17-19H2,1-6H3/b13-9+,14-10+/t30-,31-,34-,35-,36+,37-,38+,39-,40+/m1/s1
InChIKey IPRHKRXADCWGNJ-QVDICECUSA-N
Literature Reference Author L.J.HARRISON,G.L.SIA,K.Y.SIM,H.T.W.TAN,J.D.CONNOLLY,C.LAVAUD ,G.MASSIOT
Literature Reference Citation PHYTOCHEM.,38,1497(1995)
Literature Reference DOI 10.1016/0031-9422(94)00314-J
Molecular Weight 862.793 g/mol
Solvent Unknown
Source File Reference UWMS4069