Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-[(1-oxopentyl)oxy]-, (11b)-


Chemical Name: Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-[(1-oxopentyl)oxy]-, (11b)-
CAS Number: 57524-89-7
Product Number: AG00E8QK(AGN-PC-0OCKWD)
Synonyms:
MDL No:
Molecular Formula: C26H38O6
Molecular Weight: 446.5763

Identification/Properties


Computed Properties
Molecular Weight:
446.584g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
446.267g/mol
Monoisotopic Mass:
446.267g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
832
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
7
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Cortisol 17-valerate, also known as hydrocortisone 17-valerate, is a synthetic corticosteroid used in chemical synthesis for its anti-inflammatory and immunosuppressive properties. Its application in chemical synthesis lies in its ability to selectively bind to glucocorticoid receptors, modulating gene expression and regulating various physiological processes. This compound is commonly utilized in the development of pharmaceutical products, particularly as a key ingredient in medications for skin conditions, allergic reactions, and inflammatory disorders. Additionally, Cortisol 17-valerate serves as a valuable tool in organic chemistry research, enabling the synthesis of novel molecules with potent biological activities. By incorporating Cortisol 17-valerate into chemical reactions, researchers can explore its diverse reactivity and pharmacological effects, ultimately advancing the understanding and application of corticosteroids in medicinal chemistry.