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Chemical structure of 16α-hydroxy Prednisolone

GC41309

16α-hydroxy Prednisolone

Also known as (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

16α-hydroxy Prednisolone is a stereoselective metabolite of the 22(R) epimer of the glucocorticoid budesonide

ChemicalCAS13951-70-7MW376.4FormulaC21H28O6
CAS number
13951-70-7
Molecular weight
376.4
Formula
C21H28O6
Solubility
DMF： 30 mg/mL,DMSO： 30 mg/mL,Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2) (1：4)： 0·2 mg/mL
InChIKey
SEKYBDYVXDAYPY-ILNISADRSA-N
Catalogue number
GC41309
Brand
GLPBIO
Computed properties PubChem CID 11047056 · XLogP 1.2 · TPSA 115 Ų · H-bond donors 4
XLogP
1.2
TPSA
115 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27

SMILES C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O

Computed descriptors from PubChem (CID 11047056), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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