methyl rel-(2E,13xi,17xi,18xi)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oate
Chemical Structure Depiction of
methyl rel-(2E,13xi,17xi,18xi)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oate
methyl rel-(2E,13xi,17xi,18xi)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oate
Compound characteristics
| Compound ID: | N064-0050 |
| Compound Name: | methyl rel-(2E,13xi,17xi,18xi)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-5xi,9xi-lup-20(29)-en-28-oate |
| Molecular Weight: | 600.88 |
| Molecular Formula: | C40 H56 O4 |
| Smiles: | CCOc1ccc(\C=C2/C[C@@]3(C)C(CC[C@]4(C)C3CCC3C5[C@@H](CCC5(CC[C@]34C)C(=O)OC)C(C)=C)[C@@](C)(C)C2=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.3589 |
| logD: | 9.3589 |
| logSw: | -6.1176 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.651 |
| InChI Key: | LIZYQIOAPWRBEB-NMIRNQIOSA-N |