5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzene-1-sulfonate
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8015-1541 |
| Compound Name: | 5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 534.67 |
| Molecular Formula: | C31 H34 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1cc(ccc1C12CCCC1C1(CCCC1)c1ccc(cc1O2)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7458 |
| logD: | 6.7458 |
| logSw: | -5.8795 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.118 |
| InChI Key: | IYSQEMUKIAREPI-UHFFFAOYSA-N |