(11Z)-11-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | K273-0182 |
| Compound Name: | (11Z)-11-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C27 H29 N O5 |
| Smiles: | CCOc1ccc(/C=C/C(=C2\C3C4CCCCC4(NC2=O)Oc2ccccc23)O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5448 |
| logD: | 4.5446 |
| logSw: | -4.3019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.947 |
| InChI Key: | MHJMVWUPADBEIL-UHFFFAOYSA-N |