rel-(8xi,9xi,10xi,13xi,14xi)-3-(acetyloxy)-17-hydroxy-20-oxopregnan-16-yl (3-iodophenyl)acetate
Chemical Structure Depiction of
rel-(8xi,9xi,10xi,13xi,14xi)-3-(acetyloxy)-17-hydroxy-20-oxopregnan-16-yl (3-iodophenyl)acetate
rel-(8xi,9xi,10xi,13xi,14xi)-3-(acetyloxy)-17-hydroxy-20-oxopregnan-16-yl (3-iodophenyl)acetate
Compound characteristics
| Compound ID: | N017-0005 |
| Compound Name: | rel-(8xi,9xi,10xi,13xi,14xi)-3-(acetyloxy)-17-hydroxy-20-oxopregnan-16-yl (3-iodophenyl)acetate |
| Molecular Weight: | 636.57 |
| Molecular Formula: | C31 H41 I O6 |
| Smiles: | [H][C@]12CCC3C(CCC4(C)C3C[C@H]([C@@]4(C(C)=O)O)OC(Cc3cccc(c3)I)=O)C2(C)CCC(C1)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5782 |
| logD: | 5.5782 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.783 |
| InChI Key: | QOIJGUZBBFUJSQ-UHFFFAOYSA-N |