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3,4-METHYLENEDIOXY-5,4'-DIMETHOXY-3'-[O,N-(ALPHA)-DI-(BIS-BENZYLPHOSPHORYL)-L-TYROSYL]-AMIDO-Z-STILBENE
SpectraBase Compound ID F0FoKAzK6fV
InChI InChI=1S/C54H52N2O12P2/c1-60-50-30-27-40(23-24-46-33-51(61-2)53-52(34-46)62-39-63-53)31-48(50)55-54(57)49(56-69(58,64-35-42-15-7-3-8-16-42)65-36-43-17-9-4-10-18-43)32-41-25-28-47(29-26-41)68-70(59,66-37-44-19-11-5-12-20-44)67-38-45-21-13-6-14-22-45/h3-31,33-34,49H,32,35-39H2,1-2H3,(H,55,57)(H,56,58)/b24-23-/t49-/m1/s1
InChIKey KQFICINEPNFDQM-GVZZBACQSA-N
Mol Weight 983.0 g/mol
Molecular Formula C54H52N2O12P2
Exact Mass 982.299549 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KifII2OuUwh
Name 3,4-METHYLENEDIOXY-5,4'-DIMETHOXY-3'-[O,N-(ALPHA)-DI-(BIS-BENZYLPHOSPHORYL)-L-TYROSYL]-AMIDO-Z-STILBENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H52N2O12P2
InChI InChI=1S/C54H52N2O12P2/c1-60-50-30-27-40(23-24-46-33-51(61-2)53-52(34-46)62-39-63-53)31-48(50)55-54(57)49(56-69(58,64-35-42-15-7-3-8-16-42)65-36-43-17-9-4-10-18-43)32-41-25-28-47(29-26-41)68-70(59,66-37-44-19-11-5-12-20-44)67-38-45-21-13-6-14-22-45/h3-31,33-34,49H,32,35-39H2,1-2H3,(H,55,57)(H,56,58)/b24-23-/t49-/m1/s1
InChIKey KQFICINEPNFDQM-GVZZBACQSA-N
Literature Reference Author G.R.PETTIT,C.R.ANDERSON,E.J.GAPUD,M.K.JUNG,J.C.KNIGHT,E.HAME L,R.K.PETTIT
Literature Reference Citation J.NAT.PROD.,68,1191(2005)
Literature Reference DOI 10.1021/np058033l
Solvent CDCl3
Source File Reference UWMZ13245