rel-(1aR,13aS)-7b-acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
Chemical Structure Depiction of
rel-(1aR,13aS)-7b-acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
rel-(1aR,13aS)-7b-acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
Compound characteristics
| Compound ID: | N017-0018 |
| Compound Name: | rel-(1aR,13aS)-7b-acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate |
| Molecular Weight: | 428.61 |
| Molecular Formula: | C27 H40 O4 |
| Smiles: | CC(C12CCCCC1CC1C3C[C@H]4[C@]5(CC(CCC5(C)C3CCC12C)OC(C)=O)O4)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4501 |
| logD: | 4.4501 |
| logSw: | -5.1274 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.256 |
| InChI Key: | UOCUEIOMIAYZNI-UHFFFAOYSA-N |