| SpectraBase Compound ID | 6102ZZY3a5B |
|---|---|
| InChI | InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21?,23+,24-,25?,26+,27?,28+,30?,31+,32-,33+,34-/m1/s1 |
| InChIKey | NUXFDCYXMLVOFU-DLQDLVGQSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C34H48N2O9 |
| Exact Mass | 628.335981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NzMZPGQ3zo |
|---|---|
| Name | AJACINE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N2O9 |
| InChI | InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21?,23+,24-,25?,26+,27?,28+,30?,31+,32-,33+,34-/m1/s1 |
| InChIKey | NUXFDCYXMLVOFU-DLQDLVGQSA-N |
| Literature Reference Author | S.W.PELLETIER,N.V.MODY,R.S.SAWHNEY,J.BHATTACHARYYA |
| Literature Reference Citation | HETEROCYCLES,7,327(1977) |
| Literature Reference DOI | 10.3987/S-1977-01-0327 |
| Molecular Weight | 628.763 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2463 |