(11Z)-11-[(2E)-1-hydroxy-3-(4-methylphenyl)prop-2-en-1-ylidene]-13-propyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-1-hydroxy-3-(4-methylphenyl)prop-2-en-1-ylidene]-13-propyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-1-hydroxy-3-(4-methylphenyl)prop-2-en-1-ylidene]-13-propyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | K273-0157 |
| Compound Name: | (11Z)-11-[(2E)-1-hydroxy-3-(4-methylphenyl)prop-2-en-1-ylidene]-13-propyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C28 H31 N O3 |
| Smiles: | CCCN1C(C(/C2C3CCCCC13Oc1ccccc12)=C(/C=C/c1ccc(C)cc1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1657 |
| logD: | 6.1656 |
| logSw: | -5.3904 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.002 |
| InChI Key: | RJSILIMLFOXVLP-UHFFFAOYSA-N |