| SpectraBase Compound ID | 6MDpbn9CYG5 |
|---|---|
| InChI | InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)/b16-8+ |
| InChIKey | RMSITXIMTOOGNZ-LZYBPNLTSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C36H38N2O9 |
| Exact Mass | 642.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fr97pK8yadV |
|---|---|
| Name | CANNABISIN-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N2O9 |
| InChI | InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)/b16-8+ |
| InChIKey | RMSITXIMTOOGNZ-LZYBPNLTSA-N |
| Literature Reference Author | I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,M.OKADA,M.MARUNO |
| Literature Reference Citation | PHYTOCHEM.,38,1003(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00773-M |
| Molecular Weight | 642.706 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS3847 |