Products 805-14-1

CAS 805-14-1 is the registry number for 21-Dehydro Isoflupredone, >95% (HPLC). Offered by: TRC. Available pack sizes: 10mg, 1mg.

21-Dehydro Isoflupredone, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde (CAS 805-14-1) is a chemical compound with the molecular formula C21H25FO5 and a molecular weight of 376.4 g/mol. IUPAC name: 2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde. InChIKey: LZKUFOVZLUZXJZ-BULBTXNYSA-N.

Identity
Molecular formulaC21H25FO5
Molecular weight376.4 g/mol
IUPAC name2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
InChIKeyLZKUFOVZLUZXJZ-BULBTXNYSA-N
SMILESC[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)C=O)O)CCC4=CC(=O)C=C[C@@]43C)F)O

Computed by PubChem (NCBI)

Synonyms: 21-Dehydro Isoflupredone
Isomers (same molecular formula)
(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylic acid C21H25FO5
(9R,10S,13S,16S,17R)-9-fluoro-17-hydroxy-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C21H25FO5