| SpectraBase Compound ID | Fr9pCV4a5a7 |
|---|---|
| InChI | InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1 |
| InChIKey | PXEFELGJKKNAPC-BSSQUUOISA-N |
| Mol Weight | 774.2 g/mol |
| Molecular Formula | C38H55Cl3N2O8 |
| Exact Mass | 772.3024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYMkW4fkTwb |
|---|---|
| Name | CARBAMIDOCYCLOPHANE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H55Cl3N2O8 |
| InChI | InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1 |
| InChIKey | PXEFELGJKKNAPC-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 | 774.222 g/mol |
| Sample ID | 30418 |
| Solvent | CD3OD |