4-[6'-(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[6'-(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]-1,3-phenylene diacetate
4-[6'-(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | 8015-1585 |
| Compound Name: | 4-[6'-(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C30 H34 O7 |
| Smiles: | CC(=O)Oc1ccc(c(c1)OC(C)=O)C12CCCCC1C1(CCCCC1)c1ccc(cc1O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9101 |
| logD: | 4.9101 |
| logSw: | -4.6755 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.79 |
| InChI Key: | CLDDIHBFHJXORA-UHFFFAOYSA-N |