| SpectraBase Compound ID | 5k0xnvdwZye |
|---|---|
| InChI | InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1 |
| InChIKey | KQQDTKLGLAIGOF-TXPPAELQSA-N |
| Mol Weight | 808.7 g/mol |
| Molecular Formula | C38H54Cl4N2O8 |
| Exact Mass | 806.263427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESCSTewoQiG |
|---|---|
| Name | CARBAMIDOCYCLOPHANE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54Cl4N2O8 |
| InChI | InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1 |
| InChIKey | KQQDTKLGLAIGOF-TXPPAELQSA-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 | 808.667 g/mol |
| Sample ID | 30416 |
| Solvent | DMSO-D6 |