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#4;HOPEASIDE-D;1-[(1S,2S)-1-HYDROXY-2-(4-HYDROXY-PHENYL)-2-[1-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-5-[(1E)-2-(4-HYDROXY-PHENYL)-ETHENYL]-BENZENE-4-YL]-ETHYL]-2
SpectraBase Compound ID E49qe2T50wj
InChI InChI=1S/C40H44O17/c41-15-27-33(49)35(51)37(53)39(56-27)31-24(12-22(45)13-25(31)46)32(48)30(18-5-9-21(44)10-6-18)29-19(4-1-17-2-7-20(43)8-3-17)11-23(14-26(29)47)55-40-38(54)36(52)34(50)28(16-42)57-40/h1-14,27-28,30,32-54H,15-16H2/b4-1+/t27-,28-,30-,32+,33-,34-,35+,36+,37-,38-,39+,40-/m0/s1
InChIKey LQFVRXQCRMIESW-VDFZJRLNSA-N
Mol Weight 796.8 g/mol
Molecular Formula C40H44O17
Exact Mass 796.25785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUBTxQGhaAm
Name #4;HOPEASIDE-D;1-[(1S,2S)-1-HYDROXY-2-(4-HYDROXY-PHENYL)-2-[1-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-5-[(1E)-2-(4-HYDROXY-PHENYL)-ETHENYL]-BENZENE-4-YL]-ETHYL]-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44O17
InChI InChI=1S/C40H44O17/c41-15-27-33(49)35(51)37(53)39(56-27)31-24(12-22(45)13-25(31)46)32(48)30(18-5-9-21(44)10-6-18)29-19(4-1-17-2-7-20(43)8-3-17)11-23(14-26(29)47)55-40-38(54)36(52)34(50)28(16-42)57-40/h1-14,27-28,30,32-54H,15-16H2/b4-1+/t27-,28-,30-,32+,33-,34-,35+,36+,37-,38-,39+,40-/m0/s1
InChIKey LQFVRXQCRMIESW-VDFZJRLNSA-N
Literature Reference Author N.ABE,T.ITO,M.OYAMA,R.SAWA,Y.TAKAHASHI,V.CHELLADURAI,M.IINUM A
Literature Reference Citation CHEM.PHARM.BULL.,59,239(2011)
Literature Reference DOI 10.1248/cpb.59.239
Molecular Weight 796.779 g/mol
Sample ID 2692
Solvent CD3OD