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11-(N-CARBOBENZOXY-L-ALANINE)-AMINO-23-(METHOXY-L-ALANYL)-CARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID H7WbylF2t60
InChI InChI=1S/C50H55N3O10/c1-6-19-61-45-33-15-11-17-35(45)23-39-27-42(53-47(56)30(3)52-50(59)63-29-32-13-9-8-10-14-32)28-40(44(39)55)24-36-18-12-16-34(46(36)62-20-7-2)22-38-26-41(25-37(21-33)43(38)54)48(57)51-31(4)49(58)60-5/h8-18,25-28,30-31,54-55H,6-7,19-24,29H2,1-5H3,(H,51,57)(H,52,59)(H,53,56)/t30-,31+/m0/s1
InChIKey FYCMPYCBMBSBHW-IOWSJCHKSA-N
Mol Weight 858.0 g/mol
Molecular Formula C50H55N3O10
Exact Mass 857.388745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gNjH1T1T2
Name 11-(N-CARBOBENZOXY-L-ALANINE)-AMINO-23-(METHOXY-L-ALANYL)-CARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H55N3O10
InChI InChI=1S/C50H55N3O10/c1-6-19-61-45-33-15-11-17-35(45)23-39-27-42(53-47(56)30(3)52-50(59)63-29-32-13-9-8-10-14-32)28-40(44(39)55)24-36-18-12-16-34(46(36)62-20-7-2)22-38-26-41(25-37(21-33)43(38)54)48(57)51-31(4)49(58)60-5/h8-18,25-28,30-31,54-55H,6-7,19-24,29H2,1-5H3,(H,51,57)(H,52,59)(H,53,56)/t30-,31+/m0/s1
InChIKey FYCMPYCBMBSBHW-IOWSJCHKSA-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 858.001 g/mol
Sample ID 36905
Solvent CDCl3