| SpectraBase Compound ID | I6DwlkjBYRy |
|---|---|
| InChI | InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)/t19-,20?,21+,23+,24-,25+,26?,27+,28-,30+,31+,32-/m1/s1 |
| InChIKey | BTJGSIVUSIUKPV-HAIWLDMQSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H44N2O7 |
| Exact Mass | 568.314852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlKmbI0eTDd |
|---|---|
| Name | ACONORINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N2O7 |
| InChI | InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)/t19-,20?,21+,23+,24-,25+,26?,27+,28-,30+,31+,32-/m1/s1 |
| InChIKey | BTJGSIVUSIUKPV-HAIWLDMQSA-N |
| Literature Reference Author | J.YUE,J.XU,Y.CHEN,S.CHEN |
| Literature Reference Citation | PHYTOCHEM.,37,1467(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90435-7 |
| Molecular Weight | 568.711 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5729 |