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(2S)-(2-[11-[3-(2,2-DIPHENYLETHYLCARBAMOYL)-(E)-ACRYLOYLAMINO]-UNDECANOYLAMINO]-ACETYLAMINO)-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER
SpectraBase Compound ID 6b9MMrRdBGu
InChI InChI=1S/C51H64N4O6/c1-39(2)35-46(51(60)61-38-45(42-27-17-11-18-28-42)43-29-19-12-20-30-43)55-50(59)37-54-47(56)31-21-7-5-3-4-6-8-22-34-52-48(57)32-33-49(58)53-36-44(40-23-13-9-14-24-40)41-25-15-10-16-26-41/h9-20,23-30,32-33,39,44-46H,3-8,21-22,31,34-38H2,1-2H3,(H,52,57)(H,53,58)(H,54,56)(H,55,59)/b33-32+/t46-/m0/s1
InChIKey ZPAOKKFABPTHSI-CDFZQNSSSA-N
Mol Weight 829.1 g/mol
Molecular Formula C51H64N4O6
Exact Mass 828.482586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HV6blsGoEXd
Name (2S)-(2-[11-[3-(2,2-DIPHENYLETHYLCARBAMOYL)-(E)-ACRYLOYLAMINO]-UNDECANOYLAMINO]-ACETYLAMINO)-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER
Compound Number E-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H64N4O6
InChI InChI=1S/C51H64N4O6/c1-39(2)35-46(51(60)61-38-45(42-27-17-11-18-28-42)43-29-19-12-20-30-43)55-50(59)37-54-47(56)31-21-7-5-3-4-6-8-22-34-52-48(57)32-33-49(58)53-36-44(40-23-13-9-14-24-40)41-25-15-10-16-26-41/h9-20,23-30,32-33,39,44-46H,3-8,21-22,31,34-38H2,1-2H3,(H,52,57)(H,53,58)(H,54,56)(H,55,59)/b33-32+/t46-/m0/s1
InChIKey ZPAOKKFABPTHSI-CDFZQNSSSA-N
Literature Reference Author G.BOTTARI,D.A.LEIGH,E.M.PEREZ
Literature Reference Citation J.AM.CHEM.SOC.,125,13360(2003)
Literature Reference DOI 10.1021/ja036665t
Molecular Weight 829.092 g/mol
Sample ID 35199
Solvent CDCl3