cholest-5-en-3-yl {[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
cholest-5-en-3-yl {[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
cholest-5-en-3-yl {[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y041-1969 |
| Compound Name: | cholest-5-en-3-yl {[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 773.85 |
| Molecular Formula: | C45 H57 Br 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)Oc1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 10.8462 |
| logD: | 10.8462 |
| logSw: | -5.8115 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.779 |
| InChI Key: | CMVKMCOLLGHHPU-KYZGVTDNSA-N |