rel-(6aR,6bR,11aR,12R)-12-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Chemical Structure Depiction of
rel-(6aR,6bR,11aR,12R)-12-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
rel-(6aR,6bR,11aR,12R)-12-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Compound characteristics
| Compound ID: | 8001-5643 |
| Compound Name: | rel-(6aR,6bR,11aR,12R)-12-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C27 H29 N O4 |
| Smiles: | [H][C@@]12C(C3OCC([C@@]1([H])[C@]([H])(C(C14CC5CC(CC(C5)C4)C1)=O)N1c4ccccc4C=C[C@@]12[H])O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4502 |
| logD: | 4.4502 |
| logSw: | -4.6671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.682 |
| InChI Key: | XXTVWAHGGFLWMY-UKLAZOMYSA-N |