(2RS)-2-{(2RS)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-oxo-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate
Chemical Structure Depiction of
(2RS)-2-{(2RS)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-oxo-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate
(2RS)-2-{(2RS)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-oxo-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate
Compound characteristics
| Compound ID: | N005-0020 |
| Compound Name: | (2RS)-2-{(2RS)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-oxo-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate |
| Molecular Weight: | 692.63 |
| Molecular Formula: | C35 H32 O15 |
| Smiles: | CC(=O)OC[C@@H]1C(c2ccc(c(c2)OC)OC(C)=O)Oc2cc(ccc2O1)[C@@H]1C(C(c2c(cc(cc2O1)OC(C)=O)OC(C)=O)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3835 |
| logD: | 2.3835 |
| logSw: | -2.7307 |
| Hydrogen bond acceptors count: | 21 |
| Polar surface area: | 147.413 |
| InChI Key: | WQNWIUDROMWSFM-LQOANXQBSA-N |