rel-(3aR,5R,5aS,8aS,8bR)-5-{[(4-ethoxyphenyl)methoxy]methyl}-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran
Chemical Structure Depiction of
rel-(3aR,5R,5aS,8aS,8bR)-5-{[(4-ethoxyphenyl)methoxy]methyl}-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran
rel-(3aR,5R,5aS,8aS,8bR)-5-{[(4-ethoxyphenyl)methoxy]methyl}-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran
Compound characteristics
| Compound ID: | 3165-0002 |
| Compound Name: | rel-(3aR,5R,5aS,8aS,8bR)-5-{[(4-ethoxyphenyl)methoxy]methyl}-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran |
| Molecular Weight: | 394.46 |
| Molecular Formula: | C21 H30 O7 |
| Smiles: | CCOc1ccc(COC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(C)(C)O4)OC(C)(C)O3)cc1 |
| Stereo: | RELATIVE |
| logP: | 3.5533 |
| logD: | 3.5533 |
| logSw: | -3.2582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.612 |
| InChI Key: | KCTJKLSZBAXALE-APAFKAMOSA-N |