(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Chemical Structure Depiction of
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Compound characteristics
| Compound ID: | Y042-2959 |
| Compound Name: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C18 H22 O5 |
| Smiles: | C[C@H]1CCCC(CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1164 |
| logD: | 3.0408 |
| logSw: | -2.7982 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.956 |
| InChI Key: | MBMQEIFVQACCCH-LBPRGKRZSA-N |