1,8-dimethyl-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
1,8-dimethyl-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
1,8-dimethyl-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8006-1069 |
| Compound Name: | 1,8-dimethyl-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C20 H16 O3 |
| Smiles: | CC12C3C(C(=O)OC3=O)C(C)(c3ccccc13)c1ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0981 |
| logD: | 3.0981 |
| logSw: | -3.4304 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.932 |
| InChI Key: | XBXLNFDKAGAPGL-UHFFFAOYSA-N |