methyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-[(1Z)-N-(acetyloxy)ethanimidoyl]-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 (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-[(1Z)-N-(acetyloxy)ethanimidoyl]-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 (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-[(1Z)-N-(acetyloxy)ethanimidoyl]-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: | 8007-8336 |
| Compound Name: | methyl (2RS,4aSR,6aRS,6bSR,9aRS)-2-(acetyloxy)-6b-[(1Z)-N-(acetyloxy)ethanimidoyl]-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: | 514.62 |
| Molecular Formula: | C28 H38 N2 O7 |
| Smiles: | C/C([C@@]12[C@@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]13C)OC(C)=O)C(C(=O)OC)=NO2)=N/OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8744 |
| logD: | 3.8744 |
| logSw: | -4.5729 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.74 |
| InChI Key: | WDBOBNMZFPNSTI-KHQGYXFGSA-N |