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Cortisone

CAT: 0926-FC20558-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FC20558-02Size:5 g
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CAS Number
53-06-5
Synonyms
17,21-Dihydroxy-pregn-4-ene-3,11,20-trione;17-Hydroxy-11-dehydrocorticosterone;11-Dehydro-17-hydroxycorticosterone
MDL Number
MFCD00003610
Smiles
C[C@]12CCC (=O) C=C1CC[C@@H]3[C@@H]2C (=O) C[C@]4 ([C@H]3CC[C@@]4 (C (=O) CO) O) C
Molecular Formula
C21H28O5
Molecular Weight
360.44 g/mol
Controlled
No

Chemical Information

Cortisone

Cortisone is a C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, an 11-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It derives from a hydride of a pregnane.

CAS Number53-06-5
PubChem CID222786
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP1.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity724
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Chemical Structure
2D Structure
2D structure of Cortisone
CAS: 53-06-5
CID: 222786
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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