(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
| Molecular Formula | C27H39NO2 |
|---|---|
| Molecular Weight | 409.6 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.5 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.29807 |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 60-70-8 |
|---|---|
| SMILES | CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O |
| InChIKey | MALFODICFSIXPO-KFKQDBFTSA-N |
📖 Product Overview
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol (CAS: 60-70-8) is a chemical compound with molecular formula C27H39NO2 and molecular weight 409.6 g/mol. Its IUPAC systematic name is (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol.
MALFODICFSIXPO-KFKQDBFTSA-N.
SMILES: CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O.
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