| SpectraBase Compound ID | 4mh5bfScwvT |
|---|---|
| InChI | InChI=1S/C36H49N5O6/c1-7-23(4)31-34(44)37-17-15-25-21-26(13-14-29(25)42)47-30-16-18-41(32(30)35(45)39-31)36(46)27(19-22(2)3)38-33(43)28(40(5)6)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,42H,7,16,18-20H2,1-6H3,(H,37,44)(H,38,43)(H,39,45)/b17-15- |
| InChIKey | LWRYKADLUSDOLT-ICFOKQHNSA-N |
| Mol Weight | 647.8 g/mol |
| Molecular Formula | C36H49N5O6 |
| Exact Mass | 647.368284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICoG3djNCM5 |
|---|---|
| Name | O-DEMETHYL-MUCRONINE-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H49N5O6 |
| InChI | InChI=1S/C36H49N5O6/c1-7-23(4)31-34(44)37-17-15-25-21-26(13-14-29(25)42)47-30-16-18-41(32(30)35(45)39-31)36(46)27(19-22(2)3)38-33(43)28(40(5)6)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,42H,7,16,18-20H2,1-6H3,(H,37,44)(H,38,43)(H,39,45)/b17-15- |
| InChIKey | LWRYKADLUSDOLT-ICFOKQHNSA-N |
| Literature Reference Author | L.BARBONI,P.GARIBOLDI,E.TORREGIANI,L.VEROTTA |
| Literature Reference Citation | PHYTOCHEM.,35,1579(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86897-1 |
| Molecular Weight | 647.815 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU25320 |