methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate
Chemical Structure Depiction of
methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate
methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate
Compound characteristics
| Compound ID: | 0080-0040 |
| Compound Name: | methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | CC1C2CN3CCc4c5ccccc5[nH]c4C3CC2C(=CO1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9594 |
| logD: | 1.4651 |
| logSw: | -3.3723 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.948 |
| InChI Key: | GRTOGORTSDXSFK-UHFFFAOYSA-N |