rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregnan-21-yl acetate
Chemical Structure Depiction of
rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregnan-21-yl acetate
rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregnan-21-yl acetate
Compound characteristics
| Compound ID: | N017-0006 |
| Compound Name: | rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregnan-21-yl acetate |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C23 H34 O5 |
| Smiles: | [H][C@]12CCC3C(CCC4(C)C3CC[C@@]4(C(COC(C)=O)=O)O)C2(C)CCC(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.506 |
| logD: | 3.506 |
| logSw: | -4.4677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.385 |
| InChI Key: | SDSTWQKFZBIDEK-UHFFFAOYSA-N |