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566-88-1

566-88-1 structural image
Product Name: 5ALPHA-CHOLESTAN-3-ONE
Formula: C27H46O
Synonyms: 3-Keto-5α-cholestane
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 128 - 130 °C

COMPUTED DESCRIPTORS

Molecular Weight 386.7 g/mol
XLogP3 8.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 386.354866087 g/mol
Monoisotopic Mass 386.354866087 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 579
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5alpha-cholestan-3-one is a 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3. It has a role as a mammalian metabolite. It is a 3-oxo-5alpha-steroid and a 3-oxocholestane. It derives from a hydride of a 5alpha-cholestane.