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601-54-7

601-54-7 structural image
Product Name: 5-CHOLESTEN-3-ONE
Formula: C27H44O
Synonyms: 3-Keto-5-cholestene
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 211.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 384.6 g/mol
XLogP3 8.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 384.339216023 g/mol
Monoisotopic Mass 384.339216023 g/mol
Topological Polar Surface Area 17.1 Ų
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

PRODUCT INTRODUCTION

description

Cholest-5-en-3-one is a 3-oxo Delta(5)-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone. It has a role as a metabolite. It is a 3-oxo-Delta(5)-steroid and a cholestanoid.