AC1O58NX

[2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Also Known As: EINECS 262-495-1|2-Bromo-6beta-fluoro-11alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate|[2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-bromo-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|2-Bromo-6beta-fluoro-11alpha,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate|21-Acetoxy-2-bromo-6beta-fluoro-11alpha,17-dihydroxypregna-1,4-diene-3,20-dione|2-[(1R,3aS,3bS,5R,9aS,9bS,10R,11aS)-8-bromo-5-fluoro-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

Molecular Formula	C23H28BrFO6
Molecular Weight	498.10532 g/mol
LogP	2.799
Topological Polar Surface Area	100.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	498.10532
Monoisotopic Mass	498.10532
Heavy Atoms	31
Complexity	913.7428

Chemical Identifiers

CAS Number	60864-62-2
SMILES	CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)O)C)O