EINECS 219-879-9

4-[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid

Also Known As: EINECS 219-879-9|9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)|4-{[(11|A,16|A)-9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoic acid|21-(3-Carboxy-1-oxopropoxy)-9-fluoro-11beta,16alpha,17alpha-trihydroxypregna-1,4-diene-3,20-dione|4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid|4-[(9-Fluoro-11beta,16alpha,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid|4-[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid|4-{2-[(1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,2,10-trihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-4-oxobutanoic acid|Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11beta,16alpha)-

Molecular Formula	C25H31FO9
Molecular Weight	494.19522 g/mol
LogP	1.04
Topological Polar Surface Area	158.43 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	494.19522
Heavy Atoms	35
Complexity	1036.0

Chemical Identifiers

CAS Number	2561-01-5
SMILES	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)COC(=O)CCC(=O)O)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O