| SpectraBase Compound ID | 4eYLZmX3zj6 |
|---|---|
| InChI | InChI=1S/C27H45N13O3/c1-37-16-22(34-19-37)4-7-28-25(41)31-10-13-40(14-11-32-26(42)29-8-5-23-17-38(2)20-35-23)15-12-33-27(43)30-9-6-24-18-39(3)21-36-24/h16-21H,4-15H2,1-3H3,(H2,28,31,41)(H2,29,32,42)(H2,30,33,43) |
| InChIKey | IYNFUQRHAAWOEN-UHFFFAOYSA-N |
| Mol Weight | 599.7 g/mol |
| Molecular Formula | C27H45N13O3 |
| Exact Mass | 599.376832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZYMjK3nbGe |
|---|---|
| Name | PODAND-#2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45N13O3 |
| InChI | InChI=1S/C27H45N13O3/c1-37-16-22(34-19-37)4-7-28-25(41)31-10-13-40(14-11-32-26(42)29-8-5-23-17-38(2)20-35-23)15-12-33-27(43)30-9-6-24-18-39(3)21-36-24/h16-21H,4-15H2,1-3H3,(H2,28,31,41)(H2,29,32,42)(H2,30,33,43) |
| InChIKey | IYNFUQRHAAWOEN-UHFFFAOYSA-N |
| Literature Reference Author | R.JAIRAM,P.G.POTVIN |
| Literature Reference Citation | J.ORG.CHEM.,57,4136(1992) |
| Literature Reference DOI | 10.1021/jo00041a016 |
| Molecular Weight | 599.740 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS2364 |