Products 106822-21-3

CAS 106822-21-3 appears in our catalog under these names: Prednisolone Impurity 35, Prednisolone Impurity 42 . Offered by: Chemat Brand. Available pack sizes: on request.

Prednisolone Impurity 35
Chemat Brand
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  • Variants: 1
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Prednisolone Impurity 42
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(4R,8'S,9'S,10'R,13'S,14'S)-2-ethoxy-2,10',13'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5,11'-trione (CAS 106822-21-3) is a chemical compound with the molecular formula C25H32O6 and a molecular weight of 428.5 g/mol. IUPAC name: (4R,8'S,9'S,10'R,13'S,14'S)-2-ethoxy-2,10',13'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5,11'-trione. InChIKey: KPMVTEIRVTYPFF-OTVPWVMUSA-N.

Identity
Molecular formulaC25H32O6
Molecular weight428.5 g/mol
IUPAC name(4R,8'S,9'S,10'R,13'S,14'S)-2-ethoxy-2,10',13'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5,11'-trione
InChIKeyKPMVTEIRVTYPFF-OTVPWVMUSA-N
SMILESCCOC1(OCC(=O)[C@@]2(O1)CC[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-2-pent-4-enoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,5-diol C25H32O6
ethyl [2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] carbonate C25H32O6
[(1S,2S,10S,11S,13S,14R,15S,17S)-14-(2-hydroxyacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] propanoate C25H32O6
[2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] propanoate C25H32O6
[2-[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H32O6
(1R,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one C25H32O6
(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-11,16-dione C25H32O6
2-[(1S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetaldehyde C25H32O6
[2-[(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] propanoate C25H32O6
[2-[(8S,9S,10R,11S,13S,14S)-11-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H32O6