| SpectraBase Compound ID | 6zcw0eX9rjU |
|---|---|
| InChI | InChI=1S/C30H51N13O3/c1-40-19-25(37-22-40)7-13-34-28(44)31-10-4-16-43(17-5-11-32-29(45)35-14-8-26-20-41(2)23-38-26)18-6-12-33-30(46)36-15-9-27-21-42(3)24-39-27/h19-24H,4-18H2,1-3H3,(H2,31,34,44)(H2,32,35,45)(H2,33,36,46) |
| InChIKey | XUSUJHZLABDTKG-UHFFFAOYSA-N |
| Mol Weight | 641.8 g/mol |
| Molecular Formula | C30H51N13O3 |
| Exact Mass | 641.423783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFrmr03lnYH |
|---|---|
| Name | PODAND-#3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H51N13O3 |
| InChI | InChI=1S/C30H51N13O3/c1-40-19-25(37-22-40)7-13-34-28(44)31-10-4-16-43(17-5-11-32-29(45)35-14-8-26-20-41(2)23-38-26)18-6-12-33-30(46)36-15-9-27-21-42(3)24-39-27/h19-24H,4-18H2,1-3H3,(H2,31,34,44)(H2,32,35,45)(H2,33,36,46) |
| InChIKey | XUSUJHZLABDTKG-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 | 641.820 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS2366 |