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6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1,2-O-DISINAPOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID L6WyjT2VWdV
InChI InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey HVHNDGOZMSAQDC-MYXVVGSNSA-N
Mol Weight 960.9 g/mol
Molecular Formula C45H52O23
Exact Mass 960.289938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgtSI09C28A
Name 1,2,2'-TRISINAPOYLGENTIOBIOSE;6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1-O-SINAPOYL,2-O-SINAPOYL)-GLUCOPYRANOSE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H52O23
InChI InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey HVHNDGOZMSAQDC-MYXVVGSNSA-N
Literature Reference Author K.R.PRICE,F.CASUSCELLI,I.J.COLQUHOUN,M.J.C.RHODES
Literature Reference Citation PHYTOCHEM.,45,1683(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00246-X
Molecular Weight 960.894 g/mol
Solvent DMSO-D6
Source File Reference UWSP403