| SpectraBase Compound ID | 8ZteUn3CbZ3 |
|---|---|
| InChI | InChI=1S/C44H54N4O5/c1-23(49)31-20-52-21-32-26(31)15-39-43-30(18-36(32)45(39)3)28-13-24(41(50-7)19-38(28)48(43)6)14-34-27-16-40-42-29(25-11-9-10-12-35(25)47(42)5)17-37(46(40)4)33(27)22-53-44(34,2)51-8/h9-13,19-20,26-27,32-34,36-37,39-40H,14-18,21-22H2,1-8H3/t26-,27+,32+,33+,34?,36-,37-,39-,40-,44?/m0/s1 |
| InChIKey | FFYCXVQLZQFJFL-FKZLKPHNSA-N |
| Mol Weight | 718.9 g/mol |
| Molecular Formula | C44H54N4O5 |
| Exact Mass | 718.409421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4d8R6F7jpR3 |
|---|---|
| Name | O-METHYLMACRALSTONINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H54N4O5 |
| InChI | InChI=1S/C44H54N4O5/c1-23(49)31-20-52-21-32-26(31)15-39-43-30(18-36(32)45(39)3)28-13-24(41(50-7)19-38(28)48(43)6)14-34-27-16-40-42-29(25-11-9-10-12-35(25)47(42)5)17-37(46(40)4)33(27)22-53-44(34,2)51-8/h9-13,19-20,26-27,32-34,36-37,39-40H,14-18,21-22H2,1-8H3/t26-,27+,32+,33+,34?,36-,37-,39-,40-,44?/m0/s1 |
| InChIKey | FFYCXVQLZQFJFL-FKZLKPHNSA-N |
| Literature Reference Author | N.KEAWPRADUB,P.HOUGHTON,E.ENO-AMOOQUAYE,P.J.BURKE |
| Literature Reference Citation | PLANTA.MED.,63,97(1997) |
| Literature Reference DOI | 10.1055/s-2006-957621 |
| Molecular Weight | 718.937 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP903 |