4-[5',6'-bis(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]benzene-1,2,3-triyl triacetate
Chemical Structure Depiction of
4-[5',6'-bis(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]benzene-1,2,3-triyl triacetate
4-[5',6'-bis(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]benzene-1,2,3-triyl triacetate
Compound characteristics
| Compound ID: | 8015-1584 |
| Compound Name: | 4-[5',6'-bis(acetyloxy)-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl]benzene-1,2,3-triyl triacetate |
| Molecular Weight: | 622.67 |
| Molecular Formula: | C34 H38 O11 |
| Smiles: | CC(=O)Oc1ccc(c(c1OC(C)=O)OC(C)=O)C12CCCCC1C1(CCCCC1)c1ccc(c(c1O2)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9008 |
| logD: | 4.9008 |
| logSw: | -4.6493 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 110.583 |
| InChI Key: | PDDWLJVUIGKUQM-UHFFFAOYSA-N |