dimethyl 4,4'-{[(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl]bis(oxymethylene)}dibenzoate
Chemical Structure Depiction of
dimethyl 4,4'-{[(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl]bis(oxymethylene)}dibenzoate
dimethyl 4,4'-{[(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl]bis(oxymethylene)}dibenzoate
Compound characteristics
| Compound ID: | Y041-4781 |
| Compound Name: | dimethyl 4,4'-{[(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl]bis(oxymethylene)}dibenzoate |
| Molecular Weight: | 614.69 |
| Molecular Formula: | C36 H38 O9 |
| Smiles: | C[C@H]1CCCC(CCC/C=C/c2cc(cc(c2C(=O)O1)OCc1ccc(cc1)C(=O)OC)OCc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 6.896 |
| logD: | 6.896 |
| logSw: | -5.7622 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.68 |
| InChI Key: | LTZQLWAKDPYGCC-DEOSSOPVSA-N |