![A,D-bridged aminocalix[6]arene](/api/spectrum/6fL6Weo9MZ4/structure.png?h=300&w=458 "A,D-bridged aminocalix[6]arene")
| SpectraBase Compound ID | ICJtjsdnrb4 |
|---|---|
| InChI | InChI=1S/C74H91NO6/c1-69(2,3)56-28-44-22-45-29-57(70(4,5)6)33-49(64(45)77)25-54-38-61(74(16,17)18)39-55-27-51-35-59(72(10,11)12)31-47(66(51)79)23-46-30-58(71(7,8)9)34-50(65(46)78)26-53-37-60(73(13,14)15)36-52(24-48(32-56)63(44)76)67(53)80-40-42-20-19-21-43(62(42)75)41-81-68(54)55/h19-21,28-39,76-79H,22-27,40-41,75H2,1-18H3 |
| InChIKey | GIZQLXYHLQVACO-UHFFFAOYSA-N |
| Mol Weight | 1090.5 g/mol |
| Molecular Formula | C74H91NO6 |
| Exact Mass | 1089.68464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6fL6Weo9MZ4 |
|---|---|
| Name | A,D-bridged aminocalix[6]arene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C74H91NO6 |
| InChI | InChI=1S/C74H91NO6/c1-69(2,3)56-28-44-22-45-29-57(70(4,5)6)33-49(64(45)77)25-54-38-61(74(16,17)18)39-55-27-51-35-59(72(10,11)12)31-47(66(51)79)23-46-30-58(71(7,8)9)34-50(65(46)78)26-53-37-60(73(13,14)15)36-52(24-48(32-56)63(44)76)67(53)80-40-42-20-19-21-43(62(42)75)41-81-68(54)55/h19-21,28-39,76-79H,22-27,40-41,75H2,1-18H3 |
| InChIKey | GIZQLXYHLQVACO-UHFFFAOYSA-N |
| Molecular Weight | 1090.543 g/mol |
| SMILES | Nc1c2COc3c4cc(cc3Cc3c(c(Cc5c(c(Cc6cc(cc(c6OCc1ccc2)Cc1c(c(Cc2c(c(C4)cc(c2)C(C)(C)C)O)cc(c1)C(C)(C)C)O)C(C)(C)C)cc(c5)C(C)(C)C)O)cc(c3)C(C)(C)C)O)C(C)(C)C |
| SPLASH | splash10-00dj-2000009008-901ac5f9128f5f493e2d |
| Source of Spectrum | F-52-10881-2 |
| Synonyms | 48-amino-5,11,17,23,29,35-hexa-tert-butyl-38,46-dioxanonacyclo[17.17.11.1(3,7).1(9,13).1(21,25).1(27,31).1(40,44).0(15,47).0(33,37)]dopentaconta-1(37),3,5,7(52),9,11,13(51),15,17,19(47),21(50),22,24,27(49),28,30,33,35,40,42,44(48)-henicosaene-49,50,51,52-tetrol |
| Wiley ID | 798070 |