| SpectraBase Compound ID | 7YWMkKkF1FA |
|---|---|
| InChI | InChI=1S/C22H33NO9/c1-5-12(3)22(29)17(24)18(25)31-13(4)21(28,6-2)19(26)30-11-14-7-9-23-10-8-15(16(14)23)32-20(22)27/h7,12-13,15-17,24,28-29H,5-6,8-11H2,1-4H3/t12?,13-,15-,16-,17+,21+,22-/m1/s1 |
| InChIKey | QFQNRSCMBIGVFI-UILPCYBTSA-N |
| Mol Weight | 455.5 g/mol |
| Molecular Formula | C22H33NO9 |
| Exact Mass | 455.215532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HI0pKtYxo9w |
|---|---|
| Name | PARSONSIANIDINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33NO9 |
| InChI | InChI=1S/C22H33NO9/c1-5-12(3)22(29)17(24)18(25)31-13(4)21(28,6-2)19(26)30-11-14-7-9-23-10-8-15(16(14)23)32-20(22)27/h7,12-13,15-17,24,28-29H,5-6,8-11H2,1-4H3/t12?,13-,15-,16-,17+,21+,22-/m1/s1 |
| InChIKey | QFQNRSCMBIGVFI-UILPCYBTSA-N |
| Literature Reference Author | F.ABE,T.NAGAO,H.OKABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,30,1737(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84253-O |
| Molecular Weight | 455.505 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU27558 |