3a-[4-(acetyloxy)-2-hydroxy-3-methylphenyl]-5-methyl-2,3,3a,9a-tetrahydro-1H-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-6-yl acetate
Chemical Structure Depiction of
3a-[4-(acetyloxy)-2-hydroxy-3-methylphenyl]-5-methyl-2,3,3a,9a-tetrahydro-1H-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-6-yl acetate
3a-[4-(acetyloxy)-2-hydroxy-3-methylphenyl]-5-methyl-2,3,3a,9a-tetrahydro-1H-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-6-yl acetate
Compound characteristics
| Compound ID: | 8015-1536 |
| Compound Name: | 3a-[4-(acetyloxy)-2-hydroxy-3-methylphenyl]-5-methyl-2,3,3a,9a-tetrahydro-1H-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-6-yl acetate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C28 H32 O6 |
| Smiles: | CC(=O)Oc1ccc(c(c1C)O)C12CCCC1C1(CCCC1)c1ccc(c(C)c1O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2342 |
| logD: | 5.2337 |
| logSw: | -4.953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.021 |
| InChI Key: | XGPOIZRGNMZKFT-UHFFFAOYSA-N |