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11-(N-CARBOBENZOXY-L-ALANINE)-AMINO-23-O-BENZOTRIAZOLYLOXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID LSsv4hwUMQ4
InChI InChI=1S/C52H51N5O9/c1-4-21-63-48-34-15-11-17-36(48)25-40-29-43(54-50(60)32(3)53-52(62)65-31-33-13-7-6-8-14-33)30-41(47(40)59)26-37-18-12-16-35(49(37)64-22-5-2)24-39-28-42(27-38(23-34)46(39)58)51(61)66-57-45-20-10-9-19-44(45)55-56-57/h6-20,27-30,32,58-59H,4-5,21-26,31H2,1-3H3,(H,53,62)(H,54,60)/t32-/m0/s1
InChIKey MWWKUHGIBFQXFN-YTTGMZPUSA-N
Mol Weight 890.0 g/mol
Molecular Formula C52H51N5O9
Exact Mass 889.368678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RXYjP8G3kn
Name 11-(N-CARBOBENZOXY-L-ALANINE)-AMINO-23-O-BENZOTRIAZOLYLOXYCARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H51N5O9
InChI InChI=1S/C52H51N5O9/c1-4-21-63-48-34-15-11-17-36(48)25-40-29-43(54-50(60)32(3)53-52(62)65-31-33-13-7-6-8-14-33)30-41(47(40)59)26-37-18-12-16-35(49(37)64-22-5-2)24-39-28-42(27-38(23-34)46(39)58)51(61)66-57-45-20-10-9-19-44(45)55-56-57/h6-20,27-30,32,58-59H,4-5,21-26,31H2,1-3H3,(H,53,62)(H,54,60)/t32-/m0/s1
InChIKey MWWKUHGIBFQXFN-YTTGMZPUSA-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 890.005 g/mol
Sample ID 36904
Solvent ACETONE-D6