![4,6,16,18,28,30,40,42-OCTAAZA-11,23,35,47-TETRAMETHYL-5,17,29,41-TETRAPHENYL-2,8,14,20,26,32,38,44-OCTAOXACALIX-[8]-ARENE](/api/spectrum/21ftDbHe7Qc/structure.png?h=300&w=458 "4,6,16,18,28,30,40,42-OCTAAZA-11,23,35,47-TETRAMETHYL-5,17,29,41-TETRAPHENYL-2,8,14,20,26,32,38,44-OCTAOXACALIX-[8]-ARENE")
| SpectraBase Compound ID | GbrPyMbNFfU |
|---|---|
| InChI | InChI=1S/C68H48N8O8/c1-41-25-49-33-50(26-41)78-58-38-60(72-66(70-58)46-19-11-6-12-20-46)80-52-28-43(3)30-54(35-52)82-62-40-64(76-68(74-62)48-23-15-8-16-24-48)84-56-32-44(4)31-55(36-56)83-63-39-61(73-67(75-63)47-21-13-7-14-22-47)81-53-29-42(2)27-51(34-53)79-59-37-57(77-49)69-65(71-59)45-17-9-5-10-18-45/h5-40H,1-4H3 |
| InChIKey | URSCJQQZIZWFDQ-UHFFFAOYSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C68H48N8O8 |
| Exact Mass | 1104.359511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21ftDbHe7Qc |
|---|---|
| Name | 4,6,16,18,28,30,40,42-OCTAAZA-11,23,35,47-TETRAMETHYL-5,17,29,41-TETRAPHENYL-2,8,14,20,26,32,38,44-OCTAOXACALIX-[8]-ARENE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H48N8O8 |
| InChI | InChI=1S/C68H48N8O8/c1-41-25-49-33-50(26-41)78-58-38-60(72-66(70-58)46-19-11-6-12-20-46)80-52-28-43(3)30-54(35-52)82-62-40-64(76-68(74-62)48-23-15-8-16-24-48)84-56-32-44(4)31-55(36-56)83-63-39-61(73-67(75-63)47-21-13-7-14-22-47)81-53-29-42(2)27-51(34-53)79-59-37-57(77-49)69-65(71-59)45-17-9-5-10-18-45/h5-40H,1-4H3 |
| InChIKey | URSCJQQZIZWFDQ-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 | 1105.178 g/mol |
| Sample ID | 61704 |
| Solvent | CDCl3 |