6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Chemical Structure Depiction of
6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Compound characteristics
| Compound ID: | 2995-2029 |
| Compound Name: | 6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C30 H36 N2 O6 |
| Smiles: | CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C3CC1C1C2C(N(C1=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1433 |
| logD: | 1.8503 |
| logSw: | -4.6082 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.623 |
| InChI Key: | BHKWBTATPFLOTL-UHFFFAOYSA-N |