| SpectraBase Compound ID | CCLliZKNTN1 |
|---|---|
| InChI | InChI=1S/C30H41NO8/c1-5-31-15-26(2)12-11-19(32)29-22(26)23(38-4)30(36,25(29)31)28(35)14-18(37-3)17-13-27(29,34)21(28)20(17)39-24(33)16-9-7-6-8-10-16/h6-10,17-23,25,32,34-36H,5,11-15H2,1-4H3/t17-,18+,19+,20+,21?,22?,23+,25+,26+,27+,28-,29-,30-/m1/s1 |
| InChIKey | AERFHMRAWNYRFJ-JBYGKATDSA-N |
| Mol Weight | 543.7 g/mol |
| Molecular Formula | C30H41NO8 |
| Exact Mass | 543.283217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZNN53b46mv |
|---|---|
| Name | GADENINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H41NO8 |
| InChI | InChI=1S/C30H41NO8/c1-5-31-15-26(2)12-11-19(32)29-22(26)23(38-4)30(36,25(29)31)28(35)14-18(37-3)17-13-27(29,34)21(28)20(17)39-24(33)16-9-7-6-8-10-16/h6-10,17-23,25,32,34-36H,5,11-15H2,1-4H3/t17-,18+,19+,20+,21?,22?,23+,25+,26+,27+,28-,29-,30-/m1/s1 |
| InChIKey | AERFHMRAWNYRFJ-JBYGKATDSA-N |
| Literature Reference Author | A.G.GONZALEZ,G.DELAFUENTE,M.REINA,R.D.ACOSTA |
| Literature Reference Citation | HETEROCYCLES,24,1513(1986) |
| Literature Reference DOI | 10.3987/R-1986-06-1513 |
| Molecular Weight | 543.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED8439 |