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652-69-7

652-69-7 structural image
Product Name: 17ALPHA, 20ALPHA-DIHYDROXY-4-PREGNEN-3-ONE
Formula: C21H32O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 183.46 Ų [M+H]+ 196.13 Ų [M+HCOO]-

COMPUTED DESCRIPTORS

Molecular Weight 332.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 332.23514488 g/mol
Monoisotopic Mass 332.23514488 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 596
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

(20S)-17,20-dihydroxypregn-4-en-3-one is the (20S)-stereoisomer of 17,20-dihydroxypregn-4-en-3-one. It has a role as a mouse metabolite.