| SpectraBase Compound ID | 9zTn4G1J3PZ |
|---|---|
| InChI | InChI=1S/C33H44N2O8/c1-6-35-16-30(43-29(37)19-9-7-8-10-22(19)34-18(2)36)12-11-26(39-4)32-24(30)14-21(27(32)35)31-15-23(38-3)20-13-25(32)33(31,28(20)40-5)42-17-41-31/h7-10,20-21,23-28H,6,11-17H2,1-5H3,(H,34,36)/t20-,21+,23+,24-,25+,26+,27-,28+,30-,31+,32+,33+/m1/s1 |
| InChIKey | PIUDCIPLFBTYSP-SDQFGTBNSA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C33H44N2O8 |
| Exact Mass | 596.309766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESlHmGTvC8A |
|---|---|
| Name | 8,9-METHYLENEDIOXYLAPPACONITINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44N2O8 |
| InChI | InChI=1S/C33H44N2O8/c1-6-35-16-30(43-29(37)19-9-7-8-10-22(19)34-18(2)36)12-11-26(39-4)32-24(30)14-21(27(32)35)31-15-23(38-3)20-13-25(32)33(31,28(20)40-5)42-17-41-31/h7-10,20-21,23-28H,6,11-17H2,1-5H3,(H,34,36)/t20-,21+,23+,24-,25+,26+,27-,28+,30-,31+,32+,33+/m1/s1 |
| InChIKey | PIUDCIPLFBTYSP-SDQFGTBNSA-N |
| Literature Reference Author | B.S.JOSHI,H.K.DESAI,S.W.PELLETIER,J.K.SNYDER,X.ZHANG,S.Y.CHE N |
| Literature Reference Citation | PHYTOCHEM.,29,357(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89078-N |
| Molecular Weight | 596.721 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25595 |