Products 889463-89-2

CAS 889463-89-2 appears in our catalog under these names: Prednisolone 21-Beta-D-Glucuronide, >95% (HPLC), Prednisolone 21-β-D-Glucuronide- Sodium Salt, >95% (HPLC), Prednisolone 21-b-D-Glucuronide- Sodium Salt, >95% (HPLC). Offered by: TRC. Available pack sizes: 10mg, 1mg, 25mg.

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

(2S,3S,4S,5R,6R)-6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 889463-89-2) is a chemical compound with the molecular formula C27H36O11 and a molecular weight of 536.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: ROILWZCHYLNVFX-YXSMBZLISA-N.

Identity
Molecular formulaC27H36O11
Molecular weight536.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyROILWZCHYLNVFX-YXSMBZLISA-N
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C)O

Computed by PubChem (NCBI)