rel-(6aR,6bS,11aS,12S)-12-acetyl-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,6bS,11aS,12S)-12-acetyl-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
rel-(6aR,6bS,11aS,12S)-12-acetyl-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: | 8004-3536 |
| Compound Name: | rel-(6aR,6bS,11aS,12S)-12-acetyl-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | [H][C@@]12C3COC(C([C@]2([H])[C@@]2([H])C=Cc4ccccc4N2[C@@H]1C(C)=O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3518 |
| logD: | 1.3518 |
| logSw: | -1.6691 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.008 |
| InChI Key: | JMYRQFURESEJJS-AOKWIGRASA-N |