![3,11,19,27-TETRATOSYL-3,11,19,27,33,34,35,36-OCTAAZAPENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31-](/api/spectrum/BBgQfXFT6dY/structure.png?h=300&w=458 "3,11,19,27-TETRATOSYL-3,11,19,27,33,34,35,36-OCTAAZAPENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31-")
| SpectraBase Compound ID | DfNlUaEU0aR |
|---|---|
| InChI | InChI=1S/C56H56N8O8S4/c1-41-17-25-53(26-18-41)73(65,66)61-33-45-9-5-11-47(57-45)35-62(74(67,68)54-27-19-42(2)20-28-54)37-49-13-7-15-51(59-49)39-64(76(71,72)56-31-23-44(4)24-32-56)40-52-16-8-14-50(60-52)38-63(36-48-12-6-10-46(34-61)58-48)75(69,70)55-29-21-43(3)22-30-55/h5-32H,33-40H2,1-4H3 |
| InChIKey | AWQQUTRKYYUCMK-UHFFFAOYSA-N |
| Mol Weight | 1097.4 g/mol |
| Molecular Formula | C56H56N8O8S4 |
| Exact Mass | 1096.310395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBgQfXFT6dY |
|---|---|
| Name | 3,11,19,27-TETRATOSYL-3,11,19,27,33,34,35,36-OCTAAZAPENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H56N8O8S4 |
| InChI | InChI=1S/C56H56N8O8S4/c1-41-17-25-53(26-18-41)73(65,66)61-33-45-9-5-11-47(57-45)35-62(74(67,68)54-27-19-42(2)20-28-54)37-49-13-7-15-51(59-49)39-64(76(71,72)56-31-23-44(4)24-32-56)40-52-16-8-14-50(60-52)38-63(36-48-12-6-10-46(34-61)58-48)75(69,70)55-29-21-43(3)22-30-55/h5-32H,33-40H2,1-4H3 |
| InChIKey | AWQQUTRKYYUCMK-UHFFFAOYSA-N |
| Literature Reference Author | M.W.HOSSEINI,J.COMARMOND,J.M.LEHN |
| Literature Reference Citation | HELV.CHIM.ACTA,72,1066(1989) |
| Literature Reference DOI | 10.1002/hlca.19890720525 |
| Molecular Weight | 1097.349 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12591 |