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11-PROPANOYLAMINO-23-N-BUTYLAMINOCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE

View entire compound with spectra: 1 NMR

11-PROPANOYLAMINO-23-N-BUTYLAMINOCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID uDpeQ3YRy0
InChI InChI=1S/C42H50N2O6/c1-5-9-16-43-42(48)35-23-31-19-27-12-10-14-29(40(27)49-17-6-2)21-33-25-36(44-37(45)8-4)26-34(39(33)47)22-30-15-11-13-28(41(30)50-18-7-3)20-32(24-35)38(31)46/h10-15,23-26,46-47H,5-9,16-22H2,1-4H3,(H,43,48)(H,44,45)
InChIKey DCCDUBOLZAYMHY-UHFFFAOYSA-N
Mol Weight 678.9 g/mol
Molecular Formula C42H50N2O6
Exact Mass 678.366887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XwG6oTbHNM
Name 11-PROPANOYLAMINO-23-N-BUTYLAMINOCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N2O6
InChI InChI=1S/C42H50N2O6/c1-5-9-16-43-42(48)35-23-31-19-27-12-10-14-29(40(27)49-17-6-2)21-33-25-36(44-37(45)8-4)26-34(39(33)47)22-30-15-11-13-28(41(30)50-18-7-3)20-32(24-35)38(31)46/h10-15,23-26,46-47H,5-9,16-22H2,1-4H3,(H,43,48)(H,44,45)
InChIKey DCCDUBOLZAYMHY-UHFFFAOYSA-N
Literature Reference Author F.SANSONE,L.BALDINI,A.CASNATI,E.CHIERICI,G.FAIMANI,F.UGOZZOL I,R.UNGARO
Literature Reference Citation J.AM.CHEM.SOC.,126,6204(2004)
Literature Reference DOI 10.1021/ja031511z
Molecular Weight 678.869 g/mol
Sample ID 36907
Solvent CDCl3