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566-65-4

566-65-4 structural image
Product Name: 5α-Pregnane-3,20-dione
Formula: C21H32O2
Synonyms: 5α-Dihydroprogesterone;Allopregnane-3,20-dione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 200 °C
Kovats Retention Index 2665

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

5alpha-pregnane-3,20-dione is a C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. It has a role as a human metabolite and a progestogen. It is a 20-oxo steroid, a C21-steroid hormone and a 3-oxo-5alpha-steroid. It is functionally related to a progesterone. It derives from a hydride of a 5alpha-pregnane.