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Prednisolone EP Impurity G

CAT: 1299-RM-P160507-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P160507-01Size:10 mg
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CAS Number
2299-46-9
Synonyms
(8S,9S,10R,11S,13S,14S,17R) -17- ((S) -1,2-dihydroxyethyl) -11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H30O5
Molecular Weight
362.46
Target Alternative Name
Prednisolone
Product Name Synonym
(8S,9S,10R,11S,13S,14S,17R) -17- ((S) -1,2-dihydroxyethyl) -11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

(11beta,20S)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one

20alpha-dihydroprednisolone is a glucocorticoid that is prednisolone in which the oxo group at position 20 has been reduced to the corresponding alpha-hydroxy group. It is a metabolite of prednisolone. It is a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-hydroxy steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a prednisolone.

CAS Number2299-46-9
PubChem CID13962391
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O5
Molecular Weight362.5
XLogP1
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity684
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey
LCOVYWIXMAJCDS-FJWDNACWSA-N
Chemical Structure
2D Structure
2D structure of (11beta,20S)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one
CAS: 2299-46-9
CID: 13962391
Formula: C21H30O5
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass362.20932405
Monoisotopic Mass362.20932405
Topological Polar Surface Area98 Ų
Heavy Atom Count26
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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