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(E)-2-(4,5-DIHYDROXY-2-{3-[(4-HYDROXYPHENYLETHYL)-AMINO]-3-OXOPROPYL}-PHENYL)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-N-(4-HYDROXYPHENYLETHYL)
SpectraBase Compound ID FIjjiN3OcLJ
InChI InChI=1S/C36H38N2O9/c1-46-32-18-24(19-33(47-2)35(32)44)17-29(36(45)38-16-14-23-5-10-27(40)11-6-23)28-21-31(42)30(41)20-25(28)7-12-34(43)37-15-13-22-3-8-26(39)9-4-22/h3-6,8-11,17-21,39-42,44H,7,12-16H2,1-2H3,(H,37,43)(H,38,45)/b29-17+
InChIKey VASQGZWVOIBRRE-STBIYBPSSA-N
Mol Weight 642.7 g/mol
Molecular Formula C36H38N2O9
Exact Mass 642.257731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjbBKTtYx2A
Name (E)-2-(4,5-DIHYDROXY-2-{3-[(4-HYDROXYPHENYLETHYL)-AMINO]-3-OXOPROPYL}-PHENYL)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-N-(4-HYDROXYPHENYLETHYL)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38N2O9
InChI InChI=1S/C36H38N2O9/c1-46-32-18-24(19-33(47-2)35(32)44)17-29(36(45)38-16-14-23-5-10-27(40)11-6-23)28-21-31(42)30(41)20-25(28)7-12-34(43)37-15-13-22-3-8-26(39)9-4-22/h3-6,8-11,17-21,39-42,44H,7,12-16H2,1-2H3,(H,37,43)(H,38,45)/b29-17+
InChIKey VASQGZWVOIBRRE-STBIYBPSSA-N
Literature Reference Author J.X.ZHANG,S.H.GUAN,R.H.FENG,Y.WANG,Z.Y.WU,Y.B.ZHANG,X.H.CHEN ,K.S.BI,D.A.GUO
Literature Reference Citation J.NAT.PROD.,76,51(2013)
Literature Reference DOI 10.1021/np300655y
Molecular Weight 642.706 g/mol
Sample ID 41021
Solvent CD3OD