methyl rel-(2xi,19xi)-4-(acetyloxy)-15-bromo-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Chemical Structure Depiction of
methyl rel-(2xi,19xi)-4-(acetyloxy)-15-bromo-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
methyl rel-(2xi,19xi)-4-(acetyloxy)-15-bromo-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Compound characteristics
| Compound ID: | 6944-0056 |
| Compound Name: | methyl rel-(2xi,19xi)-4-(acetyloxy)-15-bromo-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate |
| Molecular Weight: | 535.43 |
| Molecular Formula: | C25 H31 Br N2 O6 |
| Smiles: | CC[C@@]12C=CCN3CCC4(C([C@@](C(=O)OC)([C@@H]2OC(C)=O)O)N(C)c2cc(c(cc24)[Br])OC)C13 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8537 |
| logD: | 1.1485 |
| logSw: | -3.0904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.174 |
| InChI Key: | OTYOQSWRKXGMLS-DTIITQBCSA-N |