16a,17-((1RS)-Butylidenebis(oxy))-11b-hydroxy-17-(hydroxymethyl)-D-homoandrosta-1,4-diene-3,17a-dione (Mixture of Diastereomers)

cas: 1040085-99-1 — see every product listed under this CAS number, including other names

16a,17-((1RS)-Butylidenebis(oxy))-11b-hydroxy-17-(hydroxymethyl)-D-homoandrosta-1,4-diene-3,17a-dione (Mixture of Diastereomers) (CAS 1040085-99-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-B691785-100MG
cas1040085-99-1
size100mg
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Structural formula: {0} (CAS {1})

(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-5,6,10a,11,11a,11b,12,13-octahydro-4bH-chryseno[2,3-d][1,3]dioxole-2,7-dione (CAS 1040085-99-1) is a chemical compound with the molecular formula C25H34O6 and a molecular weight of 430.5 g/mol. IUPAC name: (4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-5,6,10a,11,11a,11b,12,13-octahydro-4bH-chryseno[2,3-d][1,3]dioxole-2,7-dione. InChIKey: DRLZLIQUOCVRLM-PINIVEOHSA-N.

Identity
Molecular formulaC25H34O6
Molecular weight430.5 g/mol
IUPAC name(4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propyl-5,6,10a,11,11a,11b,12,13-octahydro-4bH-chryseno[2,3-d][1,3]dioxole-2,7-dione
InChIKeyDRLZLIQUOCVRLM-PINIVEOHSA-N
SMILESCCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3(C(=O)[C@@]2(O1)CO)C)O)C

Computed by PubChem (NCBI)

Synonyms: Budesonide Impurity C, Budesonide impurity C [EP], D-HOMOBUDESONIDE, BUDESONIDE IMPURITY C [EP IMPURITY], BUDESONIDE IMPURITY C (EP IMPURITY), Budesonide EP Impurity C, (11b,16a)-16,17-[Butylidenebis(oxy)]-11-hydroxy-3,20-dioxopregna-1,4-dien-21-al
Isomers (same molecular formula)
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate C25H34O6
(1S,2S,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-14,17-dien-16-one C25H34O6
(1S,2S,4R,6S,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-14,17-dien-16-one C25H34O6
(1S,2S,4R,6R,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-14,17-dien-16-one C25H34O6
[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate C25H34O6
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C25H34O6
(1S,2S,4R,8S,9S,11S,12S,13R)-6-deuterio-6-(1,1,2,2,3,3,3-heptadeuteriopropyl)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O6
(4R,8'S,9'S,10'R,11'S,13'S,14'S)-2-ethoxy-11'-hydroxy-2,10',13'-trimethylspiro[1,3-dioxane-4,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3',5-dione C25H34O6
[2-[(8'S,10'S,13'S,14'S,17'R)-17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]-2-oxoethyl] acetate C25H34O6
methyl (2E)-2-[(8R,9S,10R,13S,14S,17S)-2'-methoxy-2',13-dimethyl-3-oxospiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-1,3-dioxolane]-4'-ylidene]acetate C25H34O6
(1S,2S,4R,8S,9S,11S,12S,13R)-15,17,19,19-tetradeuterio-8-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O6
[2-[(8S,9S,10R,13S,14S,17R)-3-ethoxy-17-hydroxy-10,13-dimethyl-11-oxo-2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H34O6

Also listed as

Budesonide EP Impurity C Chemat Brand CAS 1040085-99-1
Budesonide EP Impurity C (D-Homo Budesonide) Chemat Brand CAS 1040085-99-1
Budesonide Impurity 3(Budesonide EP Impurity C) Hubei YoungXin CAS 1040085-99-1
16Alpha,17-((1RS)-Butylidenebis(oxy))-11Beta-hydroxy-17-(hydroxymethyl)-D-homoandrosta-1,4-diene-3,17a-dione (Mixture of Diastereomers) TRC CAS 1040085-99-1
16α,17-((1RS)-Butylidenebis(oxy))-11β-hydroxy-17-(hydroxymethyl)-D-homo-androsta-1,4-diene-3,17a-dione Mikromol CAS 1040085-99-1
Budesonide impurity C GLPBio CAS 1040085-99-1
(11b,16a)-16,17-(Butylidenebis(oxy))-11-hydroxy-3,20-dioxopregna-1,4-dien-21-al Biosynth CAS 1040085-99-1
4aR,4bS,5S,6aS,7aR,10aR,11aS,11bS)-4b,6,6a,7a,10a,11,11a,11b,12,13-decahydro-5-hydroxy-7a-(hydroxymethyl)-4a,6a-dimethyl-9-propylflavono[2,3-d] [1,3] oxazole-2,7(4aH, 5H)-dione, 98%, 98% Chemat CAS 1040085-99-1
Budesonide impurity C, 98.58% MedChemExpress CAS 1040085-99-1
Budesonide impurity C, 98% Fluorochem CAS 1040085-99-1