Products 512165-95-6

CAS 512165-95-6 is the registry number for Prednisolone-d8 21-β-D-glucuronide. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg, 50mg.

Prednisolone-d8 21-β-D-glucuronide
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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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 512165-95-6) 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)

Synonyms: Prednisolone 21-beta-D-Glucuronide- Sodium Salt, Prednisolone 21-?-D-Glucuronide- Sodium Salt, Prednisolone-21-ss-D-Glucuronide
Related forms of this compound
(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 C27H36O11
Isomers (same molecular formula)
methyl (1S,2R,7S,8S,9R)-8-[(2R)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate C27H36O11