methyl rel-(19xi)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Chemical Structure Depiction of
methyl rel-(19xi)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
methyl rel-(19xi)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Compound characteristics
| Compound ID: | 0080-0008 |
| Compound Name: | methyl rel-(19xi)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C25 H32 N2 O6 |
| Smiles: | [H][C@@]12C3(CCN4CC=C[C@](CC)(C34)[C@H]([C@@]1(C(=O)OC)O)OC(C)=O)c1ccc(cc1N2C)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5369 |
| logD: | 0.3746 |
| logSw: | -2.6385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.088 |
| InChI Key: | CXBGOBGJHGGWIE-JNDCAGFCSA-N |