Difluoroprednisolone-21-Acetate

cas: 52-70-0 — see every product listed under this CAS number, including other names

Difluoroprednisolone-21-Acetate (CAS 52-70-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULP11173
cas52-70-0
sizeon request
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Structural formula: {0} (CAS {1})

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (CAS 52-70-0) is a chemical compound with the molecular formula C23H28F2O6 and a molecular weight of 438.5 g/mol. IUPAC name: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. InChIKey: LAAFISZDLHQNFS-WGFKBPOKSA-N.

Identity
Molecular formulaC23H28F2O6
Molecular weight438.5 g/mol
IUPAC name[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKeyLAAFISZDLHQNFS-WGFKBPOKSA-N
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)O

Computed by PubChem (NCBI)

Synonyms: 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, Difluoroprednisolone-21-Acetate, 6a,?9a-?Difluoroprednisolone 21-Acetate, 6alpha,9alpha-Difluoroprednisolone 21-acetate, 6,9-Difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate, 6alpha,9-Difluoro-11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
Isomers (same molecular formula)
[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate C23H28F2O6
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid C23H28F2O6

Also listed as

Difluprednate Impurity 20 Hubei YoungXin CAS 52-70-0
6a,9a-Difluoroprednisolone 21-Acetate, >95% (HPLC) TRC CAS 52-70-0
6alpha,9alpha-Difluoroprednisolone 21-Acetate, >95% (HPLC) TRC CAS 52-70-0
6alpha,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate Biosynth CAS 52-70-0