![3,21-DIISOPROPYL-6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33,34,35-TETRACOSAHYDRODICYCLOHEPTA-[B,Q]-[1,4,16,19]-TRIACONTINE](/api/spectrum/BdVxh4BbB6A/structure.png?h=300&w=458 "3,21-DIISOPROPYL-6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33,34,35-TETRACOSAHYDRODICYCLOHEPTA-[B,Q]-[1,4,16,19]-TRIACONTINE")
| SpectraBase Compound ID | 8MYFrdnN3xO |
|---|---|
| InChI | InChI=1S/C42H68N4/c1-35(2)37-23-27-39-40(28-24-37)44-32-20-16-12-8-6-10-14-18-22-34-46-42-30-26-38(36(3)4)25-29-41(42)45-33-21-17-13-9-5-7-11-15-19-31-43-39/h23-30,35-36,43,46H,5-22,31-34H2,1-4H3/b44-40-,45-41- |
| InChIKey | QWTKZQYLVCYOIC-ACYPRQGXSA-N |
| Mol Weight | 629.0 g/mol |
| Molecular Formula | C42H68N4 |
| Exact Mass | 628.544398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdVxh4BbB6A |
|---|---|
| Name | 3,21-DIISOPROPYL-6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33,34,35-TETRACOSAHYDRODICYCLOHEPTA-[B,Q]-[1,4,16,19]-TRIACONTINE |
| Compound Number | 4J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68N4 |
| InChI | InChI=1S/C42H68N4/c1-35(2)37-23-27-39-40(28-24-37)44-32-20-16-12-8-6-10-14-18-22-34-46-42-30-26-38(36(3)4)25-29-41(42)45-33-21-17-13-9-5-7-11-15-19-31-43-39/h23-30,35-36,43,46H,5-22,31-34H2,1-4H3/b44-40-,45-41- |
| InChIKey | QWTKZQYLVCYOIC-ACYPRQGXSA-N |
| Literature Reference Author | K.SHINDO,L.C.ZHANG,H.WAKABAYASHI,H.MIYAMAE,S.ISHIKAWA,T.NOZO E |
| Literature Reference Citation | HETEROCYCLES,40,913(1995) |
| Literature Reference DOI | 10.3987/COM-94-S91 |
| Molecular Weight | 629.029 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2647 |