1-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-6b(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-6b(1H)-yl]ethan-1-one
1-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-6b(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-7940 |
| Compound Name: | 1-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirin-6b(1H)-yl]ethan-1-one |
| Molecular Weight: | 329.48 |
| Molecular Formula: | C21 H31 N O2 |
| Smiles: | CC([C@@]12[C@@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]13C)O)N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1996 |
| logD: | 3.1992 |
| logSw: | -4.2654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.463 |
| InChI Key: | JCVZVRIXWJOYSY-SBYCELOZSA-N |