(11β,16α)-11,17,21-Trihydroxy-16-(1-oxobutoxy)pregna-1,4-diene-3,20-dione, 99%

cas: 113930-13-5 — see every product listed under this CAS number, including other names

(11β,16α)-11,17,21-Trihydroxy-16-(1-oxobutoxy)pregna-1,4-diene-3,20-dione, 99% (CAS 113930-13-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: Chemat.

brandChemat
catalog numberCh119X4Z-10mg
cas113930-13-5
size10mg
availability 0.01g
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Available pack sizes

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Chemat 10mg 438.80 Pln

properties

purity99%
delivery time3 weeks
Structural formula: {0} (CAS {1})

[(8S,9S,10R,11S,13S,14S,16R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate (CAS 113930-13-5) is a chemical compound with the molecular formula C25H34O7 and a molecular weight of 446.5 g/mol. IUPAC name: [(8S,9S,10R,11S,13S,14S,16R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate. InChIKey: MNVQDRXNQLFAHB-OTUUEPHNSA-N.

Identity
Molecular formulaC25H34O7
Molecular weight446.5 g/mol
IUPAC name[(8S,9S,10R,11S,13S,14S,16R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate
InChIKeyMNVQDRXNQLFAHB-OTUUEPHNSA-N
SMILESCCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 16alpha-(Butyryloxy)prednisolone, Budesonide impurity I [EP], 16alpha-Hydroxyprednisolone 16-butyrate, (11beta,16alpha)-11,17,21-Trihydroxy-16-(1-oxobutoxy)pregna-1,4-diene-3,20-dione, 11beta,17,21-Trihydroxy-3,20-dioxopregna-1,4-dien-16alpha-yl Butanoate, BUDESONIDE IMPURITY I [EP IMPURITY], BUDESONIDE IMPURITY I (EP IMPURITY), Budesonide Impurity I, Budesonide EP Impurity I, 16a-Butyloxyprednisolone(Budenoside Impurity)
Isomers (same molecular formula)
ethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate C25H34O7
[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H34O7
[2-[(8S,9S,10R,11S,13S,14S,17R)-11-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6-(1-hydroxypropyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
[(2R)-2-acetyloxy-2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate C25H34O7
(1S,2S,4R,6S,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,6R,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C25H34O7
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate C25H34O7
4-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C25H34O7

Also listed as

Budesonide EP Impurity I Chemat Brand CAS 113930-13-5
Budesonide Impurity 9(Budesonide EP Impurity I) Hubei YoungXin CAS 113930-13-5
16a-Butyloxyprednisolone(Budenoside Impurity), >95% (HPLC) TRC CAS 113930-13-5
16Alpha-Butyloxyprednisolone(Budenoside Impurity), >95% (HPLC) TRC CAS 113930-13-5
16alpha-Butyloxyprednisolone Biosynth CAS 113930-13-5