(3S,11E)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Chemical Structure Depiction of
(3S,11E)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
(3S,11E)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Compound characteristics
| Compound ID: | Y040-4626 |
| Compound Name: | (3S,11E)-16-hydroxy-3-methyl-14-(2-oxo-2-phenylethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
| Molecular Weight: | 436.5 |
| Molecular Formula: | C26 H28 O6 |
| Smiles: | C[C@H]1CCCC(CCC/C=C/c2cc(cc(c2C(=O)O1)O)OCC(c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.3873 |
| logD: | 4.3838 |
| logSw: | -4.2195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.814 |
| InChI Key: | ALQNIJCGTCZRDM-SFHVURJKSA-N |