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1164-98-3

1164-98-3 structural image
Product Name: 21-HYDROXYPREGNENOLONE
Formula: C21H32O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 178.4 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 332.5 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
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 567
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

21-hydroxypregnenolone is a hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21. It has a role as a mouse metabolite. It is a hydroxypregnenolone, a 21-hydroxy steroid and a primary alpha-hydroxy ketone.