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128-23-4

128-23-4 structural image
Product Name: PREGNANEDIONE
Formula: C21H32O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2630

COMPUTED DESCRIPTORS

Molecular Weight 316.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 316.240230259 g/mol
Monoisotopic Mass 316.240230259 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 538
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

5beta-pregnane-3,20-dione is a C21-steroid that is 5beta-pregnane with oxo groups at positions 3 and 20. It has a role as a human metabolite and a mouse metabolite. It is a 20-oxo steroid, a C21-steroid and a 3-oxo-5beta-steroid. It derives from a hydride of a 5beta-pregnane.