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(2R,4AS,5AS,8R,9AR,9BR9-1-[N-(2-BENZOYLETHYL)-N-TOSYLGLYCYL]-PERHYDRO-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B:4',5'-D]-PYRROLIDINE

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(2R,4AS,5AS,8R,9AR,9BR9-1-[N-(2-BENZOYLETHYL)-N-TOSYLGLYCYL]-PERHYDRO-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B:4',5'-D]-PYRROLIDINE
SpectraBase Compound ID HHqqG1vYuM7
InChI InChI=1S/C38H38N2O8S/c1-26-17-19-30(20-18-26)49(43,44)39(22-21-33(41)27-11-5-2-6-12-27)23-34(42)40-31-24-45-37(28-13-7-3-8-14-28)47-35(31)36-32(40)25-46-38(48-36)29-15-9-4-10-16-29/h2-20,31-32,35-38H,21-25H2,1H3/t31-,32?,35+,36?,37+,38?/m1/s1
InChIKey LZZXXUBTUTVPGV-WJGZMHBGSA-N
Mol Weight 682.8 g/mol
Molecular Formula C38H38N2O8S
Exact Mass 682.234887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4lGJSSOg15
Name (2R,4AS,5AS,8R,9AR,9BR9-1-[N-(2-BENZOYLETHYL)-N-TOSYLGLYCYL]-PERHYDRO-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B:4',5'-D]-PYRROLIDINE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H38N2O8S
InChI InChI=1S/C38H38N2O8S/c1-26-17-19-30(20-18-26)49(43,44)39(22-21-33(41)27-11-5-2-6-12-27)23-34(42)40-31-24-45-37(28-13-7-3-8-14-28)47-35(31)36-32(40)25-46-38(48-36)29-15-9-4-10-16-29/h2-20,31-32,35-38H,21-25H2,1H3/t31-,32?,35+,36?,37+,38?/m1/s1
InChIKey LZZXXUBTUTVPGV-WJGZMHBGSA-N
Literature Reference Author P.WESSIG,P.WETTSTEIN,B.GIESE,M.NEUBURGER,M.ZEHNDER
Literature Reference Citation HELV.CHIM.ACTA,77,829(1994)
Literature Reference DOI 10.1002/hlca.19940770322
Molecular Weight 682.788 g/mol
Solvent CDCl3
Source File Reference UWSK2205