CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 211.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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COMPUTED DESCRIPTORS
Molecular Weight | 384.6 g/mol |
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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.