| SpectraBase Compound ID | 50PfIQxTpqS |
|---|---|
| InChI | InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1 |
| InChIKey | YSZWKXRRCFZDNI-MJVHAFATSA-N |
| Mol Weight | 705.3 g/mol |
| Molecular Formula | C38H57ClN2O8 |
| Exact Mass | 704.380344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mWFpVWamUk |
|---|---|
| Name | CARBAMIDOCYCLOPHANE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H57ClN2O8 |
| InChI | InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1 |
| InChIKey | YSZWKXRRCFZDNI-MJVHAFATSA-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 | 705.332 g/mol |
| Sample ID | 30421 |
| Solvent | CD3OD |