(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-13-methyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-13-methyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-13-methyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | C247-0126 |
| Compound Name: | (11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-13-methyl-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C29 H33 N O7 |
| Smiles: | CN1C(C(/C2C3CCCCC13Oc1c2cccc1OC)=C(/C=C/c1ccc(c(c1OC)OC)OC)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4399 |
| logD: | 4.4399 |
| logSw: | -4.5098 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.169 |
| InChI Key: | JLHRGJLEOHVMFV-UHFFFAOYSA-N |