Products 68791-68-4

CAS 68791-68-4 is the registry number for (11beta)-21-Chloro-9-fluoro-11-hydroxy-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione. Offered by: TRC. Available pack sizes: 10mg.

(11beta)-21-Chloro-9-fluoro-11-hydroxy-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
TRC
  • size: 10mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(8S,9R,10S,11S,13S,14S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate (CAS 68791-68-4) is a chemical compound with the molecular formula C24H30ClFO5 and a molecular weight of 452.9 g/mol. IUPAC name: [(8S,9R,10S,11S,13S,14S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate. InChIKey: ATUYWMAHOBGISX-VTFYZQLFSA-N.

Identity
Molecular formulaC24H30ClFO5
Molecular weight452.9 g/mol
IUPAC name[(8S,9R,10S,11S,13S,14S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
InChIKeyATUYWMAHOBGISX-VTFYZQLFSA-N
SMILESCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)CCl

Computed by PubChem (NCBI)

Synonyms: (11?)-21-Chloro-9-fluoro-11-hydroxy-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Isomers (same molecular formula)
[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate C24H30ClFO5
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30ClFO5