| SpectraBase Compound ID | BXDjWp4dXxW |
|---|---|
| InChI | InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34-/m0/s1 |
| InChIKey | NPZUIOHYMOGMCE-KOQULBODSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C37H42N2O8 |
| Exact Mass | 642.294116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZCoIphzbh1 |
|---|---|
| Name | CIS-ROTAMER |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42N2O8 |
| InChI | InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34-/m0/s1 |
| InChIKey | NPZUIOHYMOGMCE-KOQULBODSA-N |
| Literature Reference Author | N.VALLS,M.VALLRIBERA,M.LOPEZ-CANET,J.BONJOCH |
| Literature Reference Citation | J.ORG.CHEM.,67,4945(2002) |
| Literature Reference DOI | 10.1021/jo025709y |
| Molecular Weight | 642.749 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23391 |