| SpectraBase Compound ID | 1cZ2KitBPEN |
|---|---|
| InChI | InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1 |
| InChIKey | GTNWJJTZQLWLEN-BSSQUUOISA-N |
| Mol Weight | 739.8 g/mol |
| Molecular Formula | C38H56Cl2N2O8 |
| Exact Mass | 738.341372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TSkF9MnnhA |
|---|---|
| Name | CARBAMIDOCYCLOPHANE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56Cl2N2O8 |
| InChI | InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1 |
| InChIKey | GTNWJJTZQLWLEN-BSSQUUOISA-N |
| Literature Reference Author | H.T.N.BUI,R.JANSEN,H.T.L.PHAM,S.MUNDT |
| Literature Reference Citation | J.NAT.PROD.,70,499(2007) |
| Literature Reference DOI | 10.1021/np060324m |
| Molecular Weight | 739.777 g/mol |
| Sample ID | 30420 |
| Solvent | CD3OD |