Pregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11b)-


Chemical Name: Pregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11b)-
CAS Number: 561-65-9
Product Number: AG00DCWG(AGN-PC-0OCBZV)
Synonyms:
MDL No:
Molecular Formula: C21H30O5
Molecular Weight: 362.4599

Identification/Properties


Computed Properties
Molecular Weight:
362.466g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
362.209g/mol
Monoisotopic Mass:
362.209g/mol
Topological Polar Surface Area:
94.8A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
655
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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Chemical Structure



In chemical synthesis, (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, commonly known as $name$, serves as a valuable intermediate compound. Due to its complex and versatile molecular structure, $name$ is utilized as a key building block in the synthesis of various pharmaceuticals, steroids, and other organic compounds. Specifically, its hydroxyl and acetyl functional groups offer opportunities for selective chemical transformations, making it a crucial component in the construction of novel chemical entities. Additionally, the presence of the cyclopenta[a]phenanthrene core in $name$ imparts unique reactivity and selectivity properties, enabling efficient and controlled chemical reactions to take place during the synthesis of target molecules.