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Corticosterone

CAT: 0926-FC20555-02Size: 5 gDry Ice: NoHazardous: No
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CAS Number
50-22-6
Synonyms
(11b) -11,21-Dihydroxy-pregn-4-ene-3,20-dione;11,21-Dihydroxyprogesterone;17-Deoxycortisol
MDL Number
MFCD00037715
Smiles
C[C@]12CCC (=O) C=C1CC[C@@H]3[C@@H]2[C@H] (C[C@]4 ([C@H]3CC[C@@H]4C (=O) CO) C) O
Molecular Formula
C21H30O4
Molecular Weight
346.46 g/mol
Controlled
No

Chemical Information

Corticosterone

Corticosterone is a 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands. It has a role as a mouse metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a glucocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It derives from a hydride of a pregnane.

CAS Number50-22-6
PubChem CID5753
IUPAC Name(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O4
Molecular Weight346.5
XLogP1.9
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity638
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Chemical Structure
2D Structure
2D structure of Corticosterone
CAS: 50-22-6
CID: 5753
Formula: C21H30O4
MW: 346.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass346.21440943
Monoisotopic Mass346.21440943
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity638
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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