cholest-5-en-3-yl [(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
cholest-5-en-3-yl [(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetate
cholest-5-en-3-yl [(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y041-1971 |
| Compound Name: | cholest-5-en-3-yl [(2-methyl-4-oxo-3-phenoxy-4H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 694.96 |
| Molecular Formula: | C45 H58 O6 |
| Smiles: | [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@]12[H])[C@H](C)CCCC(C)C)OC(COc1ccc2C(C(=C(C)Oc2c1)Oc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.9838 |
| logD: | 9.9838 |
| logSw: | -5.7896 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.779 |
| InChI Key: | IIGRDMGSUZVAEH-MMFJCLADSA-N |