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20b-Hydroxy prednisone

CAT: 0926-FH24099-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24099-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600-92-0
Synonyms
17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
Smiles
C[C@]12CC (=O) [C@H]3[C@H] ([C@@H]1CC[C@@]2 ([C@@H] (CO) O) O) CCC4=CC (=O) C=C[C@]34C
Molecular Formula
C21H28O5
Molecular Weight
360.44 g/mol
Controlled
Yes

Chemical Information

(20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione

20alpha-dihydroprednisone is a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-hydroxy steroid, an 11-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as a human urinary metabolite. It is functionally related to a prednisone.

CAS Number600-92-0
PubChem CID71749279
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP1.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity724
SMILES
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C
InChI
InChI=1S/C21H28O5/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/h5,7,9,14-15,17-18,22,25-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
InChIKey
UMAIDVARGWSZLM-GNIMZFFESA-N
Chemical Structure
2D Structure
2D structure of (20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
CAS: 600-92-0
CID: 71749279
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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