3,3,6,6-tetramethyl-9-[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8008-7078 |
| Compound Name: | 3,3,6,6-tetramethyl-9-[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C29 H28 O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c3ccc4C(=O)OCc4c3)o2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6169 |
| logD: | 4.6169 |
| logSw: | -4.5801 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.369 |
| InChI Key: | XTTVWRBIRHFNEK-UHFFFAOYSA-N |