1,1'-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirine-6b,7-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirine-6b,7-diyl]di(ethan-1-one)
1,1'-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirine-6b,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | 8008-8086 |
| Compound Name: | 1,1'-[rel-(2R,4aS,6aR,6bR,7aS)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirine-6b,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C23 H33 N O3 |
| Smiles: | CC([C@@]12[C@@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]13C)O)N2C(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0575 |
| logD: | 3.0575 |
| logSw: | -4.204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.854 |
| InChI Key: | ZEXKBKAYWZMNJG-QLNSLMLRSA-N |