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(2R,4AS,5AS,8R,9AR,9BR)-PERHYDRO-1-[(2R,3R)-3-HYDROXY-3-PHENYL-N-TOSYLPROLYL]-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B,4',5'-D]-PYRROLINE

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(2R,4AS,5AS,8R,9AR,9BR)-PERHYDRO-1-[(2R,3R)-3-HYDROXY-3-PHENYL-N-TOSYLPROLYL]-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B,4',5'-D]-PYRROLINE
SpectraBase Compound ID 49mXwdJtSxY
InChI InChI=1S/C37H36N2O8S/c1-24-17-19-28(20-18-24)48(42,43)38-22-21-37(41,27-15-9-4-10-16-27)32(38)33(40)39-29-23-44-35(25-11-5-2-6-12-25)45-30(29)31-34(39)47-36(46-31)26-13-7-3-8-14-26/h2-20,29-32,34-36,41H,21-23H2,1H3/t29-,30+,31-,32-,34-,35+,36-,37+/m0/s1
InChIKey HPONAAFZQJCBNY-ACEQHLCQSA-N
Mol Weight 668.8 g/mol
Molecular Formula C37H36N2O8S
Exact Mass 668.219237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpwsqDJNSqu
Name (2R,4AS,5AS,8R,9AR,9BR)-PERHYDRO-1-[(2R,3R)-3-HYDROXY-3-PHENYL-N-TOSYLPROLYL]-2,8-DIPHENYL-2H,5H,8H-BIS-[1,3]-DIOXINO-[5,4-B,4',5'-D]-PYRROLINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H36N2O8S
InChI InChI=1S/C37H36N2O8S/c1-24-17-19-28(20-18-24)48(42,43)38-22-21-37(41,27-15-9-4-10-16-27)32(38)33(40)39-29-23-44-35(25-11-5-2-6-12-25)45-30(29)31-34(39)47-36(46-31)26-13-7-3-8-14-26/h2-20,29-32,34-36,41H,21-23H2,1H3/t29-,30+,31-,32-,34-,35+,36-,37+/m0/s1
InChIKey HPONAAFZQJCBNY-ACEQHLCQSA-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 668.761 g/mol
Solvent CDCl3
Source File Reference UWSK2211