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QUIQUESETINERVIUSIN_C;THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-1-ETHOXY-2-{4-HYDROXY-3-METHOXYPHENYL-4-[(1-E)-3-(4-HYDROXYBENZOYL)-1-PROPENYL]-
SpectraBase Compound ID Ea5C35fwax0
InChI InChI=1S/C36H36O11/c1-4-44-34(26-12-17-29(39)31(21-26)42-2)33(22-46-36(41)25-10-15-28(38)16-11-25)47-30-18-7-23(20-32(30)43-3)6-5-19-45-35(40)24-8-13-27(37)14-9-24/h5-18,20-21,33-34,37-39H,4,19,22H2,1-3H3/b6-5+
InChIKey LJOCWJVELQVODF-AATRIKPKSA-N
Mol Weight 644.7 g/mol
Molecular Formula C36H36O11
Exact Mass 644.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZAxxEAAqis
Name QUIQUESETINERVIUSIN_C;THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-1-ETHOXY-2-{4-HYDROXY-3-METHOXYPHENYL-4-[(1-E)-3-(4-HYDROXYBENZOYL)-1-PROPENYL]-
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36O11
InChI InChI=1S/C36H36O11/c1-4-44-34(26-12-17-29(39)31(21-26)42-2)33(22-46-36(41)25-10-15-28(38)16-11-25)47-30-18-7-23(20-32(30)43-3)6-5-19-45-35(40)24-8-13-27(37)14-9-24/h5-18,20-21,33-34,37-39H,4,19,22H2,1-3H3/b6-5+
InChIKey LJOCWJVELQVODF-AATRIKPKSA-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 644.675 g/mol
Sample ID 36293
Solvent CD3OD