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1228-72-4

1228-72-4 structural image
Product Name: 17-EPIESTRIOL
Formula: C18H24O3
Synonyms: 1,3,5(10)-Estratriene-3,16α,17α-triol;16α-Hydroxy-17α-estradiol;3,16α,17α-Trihydroxy-1,3,5(10)-estratriene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 288.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 288.17254462 g/mol
Monoisotopic Mass 288.17254462 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 411
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

17-epiestriol is a 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 17 has been epimersied from beta- to alpha- configuration. It is a metabolite of estradiol and a selective estrogen receptor beta (ER-beta) agonist. It has a role as an estrogen receptor agonist, a human urinary metabolite and an estrogen. It is a 16alpha-hydroxy steroid, a 17alpha-hydroxy steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.