Prednisone Impurity 14

cas: 94088-91-2 — see every product listed under this CAS number, including other names

Prednisone Impurity 14 (CAS 94088-91-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULP111121
cas94088-91-2
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Structural formula: {0} (CAS {1})

(1S,2S,10S,11S,13R,14S,15S,17S)-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one (CAS 94088-91-2) is a chemical compound with the molecular formula C21H26O6 and a molecular weight of 374.4 g/mol. IUPAC name: (1S,2S,10S,11S,13R,14S,15S,17S)-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one. InChIKey: MJJGOAZIKWEYHG-APPPZISSSA-N.

Identity
Molecular formulaC21H26O6
Molecular weight374.4 g/mol
IUPAC name(1S,2S,10S,11S,13R,14S,15S,17S)-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
InChIKeyMJJGOAZIKWEYHG-APPPZISSSA-N
SMILESC[C@]12C[C@H]3[C@]4(O3)[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC5=CC(=O)C=C[C@]45C

Computed by PubChem (NCBI)

Synonyms: 9beta,11beta-Epoxy-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione, 9,11b-Epoxidetriamcinolone, (9b,11b,16a)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione, (9Beta,11Beta,16Alpha)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione, 16alpha,17,21-Trihydroxy-9beta,11beta-9,11-epoxypregna-1,4-diene-3,20-dione
Isomers (same molecular formula)
2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol C21H26O6
(8R,9S,10R,11S,13S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O6
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol C21H26O6
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-ol C21H26O6
3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol C21H26O6
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol C21H26O6
(8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O6
2-oxo-2-(11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetaldehyde C21H26O6
5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one C21H26O6
(6R,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O6
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,16-dione C21H26O6
(3R,6R)-6-[(1R)-1,2-bis(phenylmethoxy)ethyl]-3-methoxy-1,4-dioxan-2-ol C21H26O6

Also listed as

(9Beta,11Beta,16Alpha)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione, >95% (HPLC) TRC CAS 94088-91-2
(9b,11b,16a)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione, >95% (HPLC) TRC CAS 94088-91-2