Budesonide Impurity 39

cas: 131918-72-4 — see every product listed under this CAS number, including other names

Budesonide Impurity 39 (CAS 131918-72-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-B041439
cas131918-72-4
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Structural formula: {0} (CAS {1})

[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 (CAS 131918-72-4) is a chemical compound with the molecular formula C23H28O7 and a molecular weight of 416.5 g/mol. IUPAC name: [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. InChIKey: JDZQPNMMHWBKCV-GMUYWZDJSA-N.

Identity
Molecular formulaC23H28O7
Molecular weight416.5 g/mol
IUPAC name[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
InChIKeyJDZQPNMMHWBKCV-GMUYWZDJSA-N
SMILESCC(=O)OCC(=O)[C@]1([C@@H](C=C2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: Budesonide 1,4,14-Triene Triol Impurity, (11b,16a)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione, (11|A,16|A)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione
Isomers (same molecular formula)
[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 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

Also listed as

Budesonide Impurity 5 Chemat Brand CAS 131918-72-4
(11Beta,16Alpha)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione TRC CAS 131918-72-4
(11b,16a)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione TRC CAS 131918-72-4
(11',16')-21-Acetyloxy-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione Biosynth CAS 131918-72-4