Products 95716-74-8

CAS 95716-74-8 is the registry number for Eplerenone Impurity 12. Offered by: Chemat Brand. Available pack sizes: on request.

Eplerenone Impurity 12
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid (CAS 95716-74-8) is a chemical compound with the molecular formula C23H28O5 and a molecular weight of 384.5 g/mol. IUPAC name: (7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid. InChIKey: PORDWKGOVBSUDI-DAGPJWNFSA-N.

Identity
Molecular formulaC23H28O5
Molecular weight384.5 g/mol
IUPAC name(7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid
InChIKeyPORDWKGOVBSUDI-DAGPJWNFSA-N
SMILESC[C@]12CCC(=O)C=C1C[C@H]([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Eplerenone Impurity 12, 7alpha-Carboxy-9(11)Delta-canrenone
Isomers (same molecular formula)
[2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
[2-[(8S,9S,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
(1R,4S,5R,8S,9R,10R,17S)-4,17-dimethylspiro[18-oxapentacyclo[8.7.2.01,9.04,8.012,17]nonadec-12-ene-5,5'-oxolane]-2',14,19-trione C23H28O5
[3-hydroxy-2-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate C23H28O5
[2-hydroxy-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate C23H28O5
[2-[(1S,2S,6S,7S,11S)-7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-9,15-dien-6-yl]-2-oxoethyl] acetate C23H28O5
[(1Z)-1-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] acetate C23H28O5
[(1E)-1-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] acetate C23H28O5