(16Alpha)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, >95% (HPLC)

cas: 3949-79-9 — see every product listed under this CAS number, including other names

(16Alpha)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, >95% (HPLC) (CAS 3949-79-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-A187703-10MG
cas3949-79-9
size10mg
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properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat

[2-[(8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (CAS 3949-79-9) is a chemical compound with the molecular formula C23H28O7 and a molecular weight of 416.5 g/mol. IUPAC name: [2-[(8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. InChIKey: SQUGFWXZIRTIBF-NKILBOSGSA-N.

Identity
Molecular formulaC23H28O7
Molecular weight416.5 g/mol
IUPAC name[2-[(8S,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKeySQUGFWXZIRTIBF-NKILBOSGSA-N
SMILESCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O)O

Computed by PubChem (NCBI)

Synonyms: (16a)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, (16alpha)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, (16alpha)-21-(Acetyloxy)-16,17-dihydroxy-pregna-1,4-diene-3,11,20-trione, Budesonide Impurity N19
Isomers (same molecular formula)
[2-oxo-2-[(8R,9S,10R,11S,13S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H28O7
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxane-3,4,5-triol C23H28O7
[2-[(1S,2S,10S,11S,13R,14S,15S,17S)-13,14-dihydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate C23H28O7
(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol C23H28O7
(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H28O7
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C23H28O7
(3S,3aR,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C23H28O7
(8S,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol C23H28O7
(9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol C23H28O7
[(3R,5R)-5-acetyloxy-7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate C23H28O7
(2S,3S,4S,5R,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol C23H28O7
(3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan C23H28O7

Also listed as

Budesonide Impurity 7 Chemat Brand CAS 3949-79-9
Budesonide Impurity 44 Chemat Brand CAS 3949-79-9
(16a)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, >95% (HPLC) TRC CAS 3949-79-9
(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4-diene-3,11,20-trione, 95% Fluorochem CAS 3949-79-9