cholest-5-en-3-yl [(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
cholest-5-en-3-yl [(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
cholest-5-en-3-yl [(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-7625 |
| Compound Name: | cholest-5-en-3-yl [(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 616.88 |
| Molecular Formula: | C40 H56 O5 |
| 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)C(=O)Oc2c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.9199 |
| logD: | 8.9199 |
| logSw: | -5.8297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.276 |
| InChI Key: | VSHSRJVKIXIMNA-BTEHFHCBSA-N |