(9R*,10R*)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl (2E)-2-methylbut-2-enoate
Chemical Structure Depiction of
(9R*,10R*)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl (2E)-2-methylbut-2-enoate
(9R*,10R*)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl (2E)-2-methylbut-2-enoate
Compound characteristics
| Compound ID: | 0080-0002 |
| Compound Name: | (9R*,10R*)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl (2E)-2-methylbut-2-enoate |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C21 H22 O7 |
| Smiles: | C\C=C(/C)C(=O)O[C@@H]1c2c(ccc3C=CC(=O)Oc23)OC(C)(C)[C@@H]1OC(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0027 |
| logD: | 3.0027 |
| logSw: | -3.0144 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.479 |
| InChI Key: | LYUZYPKZQDYMEE-MOPGFXCFSA-N |