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QUIQUESETINERVIUSIN_B;(E)-7-(2,6-DIMETHOXYPHENYL)-1'-[3-(4-HYDROXYBENZOYLOXYMETHYL)-1-PROPENYL]-8-(4-HYDROXYBENZOYLOXYMETHYL)-3'-
SpectraBase Compound ID Dtoll5lFCob
InChI InChI=1S/C35H32O11/c1-41-28-17-23(18-29(42-2)31(28)38)32-27(19-45-35(40)22-8-12-25(37)13-9-22)26-15-20(16-30(43-3)33(26)46-32)5-4-14-44-34(39)21-6-10-24(36)11-7-21/h4-13,15-18,27,32,36-38H,14,19H2,1-3H3/b5-4+/t27-,32+/m0/s1
InChIKey KXDQNTKVSVQRSV-FDMZCADJSA-N
Mol Weight 628.6 g/mol
Molecular Formula C35H32O11
Exact Mass 628.194462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dePpWQuazy
Name QUIQUESETINERVIUSIN_B;(E)-7-(2,6-DIMETHOXYPHENYL)-1'-[3-(4-HYDROXYBENZOYLOXYMETHYL)-1-PROPENYL]-8-(4-HYDROXYBENZOYLOXYMETHYL)-3'-
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H32O11
InChI InChI=1S/C35H32O11/c1-41-28-17-23(18-29(42-2)31(28)38)32-27(19-45-35(40)22-8-12-25(37)13-9-22)26-15-20(16-30(43-3)33(26)46-32)5-4-14-44-34(39)21-6-10-24(36)11-7-21/h4-13,15-18,27,32,36-38H,14,19H2,1-3H3/b5-4+/t27-,32+/m0/s1
InChIKey KXDQNTKVSVQRSV-FDMZCADJSA-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 628.632 g/mol
Sample ID 36292
Solvent CD3OD