(11beta,16alpha)-16,17-[Butylidenebis(ox

cas: 2408495-96-3 — see every product listed under this CAS number, including other names

(11beta,16alpha)-16,17-[Butylidenebis(ox (CAS 2408495-96-3) is a chemical reagent available from Chemat. Available pack sizes: 30MG. Offered by: Supelco.

brandSupelco
catalog numberPHR9313-30MG
cas2408495-96-3
size30MG
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Supelco 30MG 2495.00 Pln
Structural formula: {0} (CAS {1})

[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] butanoate (CAS 2408495-96-3) is a chemical compound with the molecular formula C29H40O7 and a molecular weight of 500.6 g/mol. IUPAC name: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] butanoate. InChIKey: SCUCNESXDOIIHK-FAFLPLIVSA-N.

Identity
Molecular formulaC29H40O7
Molecular weight500.6 g/mol
IUPAC name[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] butanoate
InChIKeySCUCNESXDOIIHK-FAFLPLIVSA-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@@]2(O1)C(=O)COC(=O)CCC)C)O)C

Computed by PubChem (NCBI)

Synonyms: Budesonide 21-Butanoate, 21-Butyryloxy Budesonide, Budesonide Impurity 28 (Mixture of Diastereomers)
Isomers (same molecular formula)
(1S,2S,5S,6R,8S,9R,12S,13R,18R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one C29H40O7

Also listed as

Budesonide 21-Butyrate (Mixture of Diastereomers) Chemat Brand CAS 2408495-96-3
Budesonide 21-butyrate Chemat Brand CAS 2408495-96-3
Budesonide 21-Butanoate Mikromol CAS 2408495-96-3
2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a-dimethyl-4-oxo-10-propyl-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl butyrate, 95% Chemat CAS 2408495-96-3