rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate
Chemical Structure Depiction of
rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate
rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate
Compound characteristics
Compound ID: | N050-0020 |
Compound Name: | rel-(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate |
Molecular Weight: | 388.55 |
Molecular Formula: | C24 H36 O4 |
Smiles: | CC([C@]1([C@H](C)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6306 |
logD: | 3.6306 |
logSw: | -4.46 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.543 |
InChI Key: | PBWPIBBLWBUSGM-SESQKPQFSA-N |