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4,6,16,18,28,30-HEXAAZA-11,23,35-TRIMETHYL-5,17,29-TRIPHENYL-2,8,14,20,26,32-HEXAOXACALIX-[6]-ARENE
SpectraBase Compound ID LfUTzv8ncjy
InChI InChI=1S/C51H36N6O6/c1-31-19-37-25-38(20-31)59-44-29-46(55-50(53-44)35-15-9-5-10-16-35)61-40-22-33(3)24-42(27-40)63-48-30-47(56-51(57-48)36-17-11-6-12-18-36)62-41-23-32(2)21-39(26-41)60-45-28-43(58-37)52-49(54-45)34-13-7-4-8-14-34/h4-30H,1-3H3
InChIKey XLRFMCQLNMAMNM-UHFFFAOYSA-N
Mol Weight 828.9 g/mol
Molecular Formula C51H36N6O6
Exact Mass 828.269633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DarF0MfgLt
Name 4,6,16,18,28,30-HEXAAZA-11,23,35-TRIMETHYL-5,17,29-TRIPHENYL-2,8,14,20,26,32-HEXAOXACALIX-[6]-ARENE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H36N6O6
InChI InChI=1S/C51H36N6O6/c1-31-19-37-25-38(20-31)59-44-29-46(55-50(53-44)35-15-9-5-10-16-35)61-40-22-33(3)24-42(27-40)63-48-30-47(56-51(57-48)36-17-11-6-12-18-36)62-41-23-32(2)21-39(26-41)60-45-28-43(58-37)52-49(54-45)34-13-7-4-8-14-34/h4-30H,1-3H3
InChIKey XLRFMCQLNMAMNM-UHFFFAOYSA-N
Literature Reference Author W.MAES,W.V.ROSSOM,K.V.HECKE,L.V.MEERVELT,W.DEHAEN
Literature Reference Citation ORG.LETTERS,8,4161(2006)
Literature Reference DOI 10.1021/ol0617446
Molecular Weight 828.883 g/mol
Sample ID 61703
Solvent CDCl3