cholest-5-en-3-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
cholest-5-en-3-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
cholest-5-en-3-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y041-1970 |
| Compound Name: | cholest-5-en-3-yl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 751.02 |
| Molecular Formula: | C48 H62 O7 |
| 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)c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.4824 |
| logD: | 9.4824 |
| logSw: | -5.7684 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.596 |
| InChI Key: | ABFSQFVJGKDXHA-ONKHLINHSA-N |