Products 13796-49-1

CAS 13796-49-1 appears in our catalog under these names: Betamethasone Impurity 92, 9-Bromo-11b,17,21-trihydroxy-16alpha-methyl-pregna-1,4-diene-3,20-dione 21-Acetate, Betamethasone Impurity 92, 95%. Offered by: Chemat Brand, TRC, Fluorochem. Available pack sizes: on request, 1g, 100mg.

Structural formula: {0} (CAS {1})

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (CAS 13796-49-1) is a chemical compound with the molecular formula C24H31BrO6 and a molecular weight of 495.4 g/mol. IUPAC name: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. InChIKey: PLVGDQKUTWULDB-RPRRAYFGSA-N.

Identity
Molecular formulaC24H31BrO6
Molecular weight495.4 g/mol
IUPAC name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKeyPLVGDQKUTWULDB-RPRRAYFGSA-N
SMILESC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)Br)C

Computed by PubChem (NCBI)