(9R*,10R*)-8,8-dimethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate
Chemical Structure Depiction of
(9R*,10R*)-8,8-dimethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate
(9R*,10R*)-8,8-dimethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate
Compound characteristics
| Compound ID: | 0118-0244 |
| Compound Name: | (9R*,10R*)-8,8-dimethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C24 H26 O7 |
| Smiles: | C\C=C(/C)C(=O)O[C@@H]1c2c(ccc3C=CC(=O)Oc23)OC(C)(C)[C@@H]1OC(C(\C)=C/C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9188 |
| logD: | 3.9188 |
| logSw: | -4.1348 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.377 |
| InChI Key: | PNTWXEIQXBRCPS-BYAWRSLLSA-N |