(8xi,9xi,10xi,13xi,14xi)-21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
Chemical Structure Depiction of
(8xi,9xi,10xi,13xi,14xi)-21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
(8xi,9xi,10xi,13xi,14xi)-21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
Compound characteristics
Compound ID: | N056-0010 |
Compound Name: | (8xi,9xi,10xi,13xi,14xi)-21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate |
Molecular Weight: | 388.5 |
Molecular Formula: | C23 H32 O5 |
Smiles: | CC(=O)O[C@@]1(CCC2C3CCC4=CC(CCC4(C)C3CCC12C)=O)C(CO)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.079 |
logD: | 3.079 |
logSw: | -4.367 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.895 |
InChI Key: | MNQKQGFLLDOCEI-PVCMVKDSSA-N |