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547-96-6

547-96-6 structural image
Product Name: 3,7,12-trihydroxycoprostane
Formula: C27H48O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 420.7 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 420.36034539 g/mol
Monoisotopic Mass 420.36034539 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 605
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
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-cholestane-3alpha,7alpha,12alpha-triol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a 12alpha-hydroxy steroid. It has a role as a human metabolite and a mouse metabolite. It derives from a hydride of a 5beta-cholestane.