methyl (4aRS,6aSR)-2-(acetyloxy)-6b-[(1E)-N-methoxyethanimidoyl]-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,2]oxazole-9-carboxylate
Chemical Structure Depiction of
methyl (4aRS,6aSR)-2-(acetyloxy)-6b-[(1E)-N-methoxyethanimidoyl]-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,2]oxazole-9-carboxylate
methyl (4aRS,6aSR)-2-(acetyloxy)-6b-[(1E)-N-methoxyethanimidoyl]-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,2]oxazole-9-carboxylate
Compound characteristics
| Compound ID: | 8004-9675 |
| Compound Name: | methyl (4aRS,6aSR)-2-(acetyloxy)-6b-[(1E)-N-methoxyethanimidoyl]-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,2]oxazole-9-carboxylate |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C27 H38 N2 O6 |
| Smiles: | C\C(C12C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]13C)OC(C)=O)C(C(=O)OC)=NO2)=N/OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4744 |
| logD: | 4.4744 |
| logSw: | -4.8638 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.609 |
| InChI Key: | HMAGMEFQRZUDPW-HRPUEVSHSA-N |