rel-(10xi,13xi,14xi)-20-oxo-8xi,9xi-16,17-epoxypregn-5-en-3-yl acetate
Chemical Structure Depiction of
rel-(10xi,13xi,14xi)-20-oxo-8xi,9xi-16,17-epoxypregn-5-en-3-yl acetate
rel-(10xi,13xi,14xi)-20-oxo-8xi,9xi-16,17-epoxypregn-5-en-3-yl acetate
Compound characteristics
| Compound ID: | N017-0009 |
| Compound Name: | rel-(10xi,13xi,14xi)-20-oxo-8xi,9xi-16,17-epoxypregn-5-en-3-yl acetate |
| Molecular Weight: | 372.5 |
| Molecular Formula: | C23 H32 O4 |
| Smiles: | CC([C@@]12[C@@H](CC3C4CC=C5CC(CCC5(C)C4CCC13C)OC(C)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5873 |
| logD: | 3.5873 |
| logSw: | -4.4911 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.546 |
| InChI Key: | YRLVTBXOGJMZNC-UHFFFAOYSA-N |