2,2-dimethyl-6-(3-nitrophenyl)-7a,8,9,10,11,11a-hexahydro-2H,6H-1,3,7-trioxacyclopenta[c]phenanthrene
Chemical Structure Depiction of
2,2-dimethyl-6-(3-nitrophenyl)-7a,8,9,10,11,11a-hexahydro-2H,6H-1,3,7-trioxacyclopenta[c]phenanthrene
2,2-dimethyl-6-(3-nitrophenyl)-7a,8,9,10,11,11a-hexahydro-2H,6H-1,3,7-trioxacyclopenta[c]phenanthrene
Compound characteristics
| Compound ID: | 8018-9246 |
| Compound Name: | 2,2-dimethyl-6-(3-nitrophenyl)-7a,8,9,10,11,11a-hexahydro-2H,6H-1,3,7-trioxacyclopenta[c]phenanthrene |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C22 H23 N O5 |
| Smiles: | CC1(C)Oc2ccc3C(c4cccc(c4)[N+]([O-])=O)OC4CCCCC4c3c2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5905 |
| logD: | 5.5905 |
| logSw: | -5.5038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.763 |
| InChI Key: | TVXJXQLIRDPFDY-UHFFFAOYSA-N |