Cholest-4-en-3-one


Chemical Name: Cholest-4-en-3-one
CAS Number: 601-57-0
Product Number: AG00340I(AGN-PC-0OD21Y)
Synonyms:
MDL No:
Molecular Formula: C27H44O
Molecular Weight: 384.6377

Identification/Properties


Properties
MP:
79-82 °C
BP:
482.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5100 (estimate)
Computed Properties
Molecular Weight:
384.648g/mol
XLogP3:
8.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
384.339g/mol
Monoisotopic Mass:
384.339g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
630
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



4-Cholesten-3-one is a versatile compound widely used in chemical synthesis, particularly in the production of steroids and pharmaceuticals. This ketone serves as a crucial intermediate in the synthesis of various bioactive molecules due to its unique structural properties and reactivity. In organic chemistry, 4-Cholesten-3-one can undergo numerous transformations such as oxidation, reduction, and functional group modifications to generate a diverse range of derivatives. Its strategic placement of functional groups makes it a valuable building block for creating complex molecular structures with specific biological activities. Additionally, 4-Cholesten-3-one is a key starting material for the synthesis of hormone analogs, vitamin D derivatives, and other pharmaceutical compounds. Its important role in chemical synthesis highlights its significance in drug discovery and development processes.