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15183-37-6

15183-37-6 structural image
Product Name: ESTETROL
Formula: C18H24O4
Synonyms: 15α-Hydroxyestriol;3,15α,16α,17β-Tetrahydroxyestra-1,3,5(10)-triene;E4;Estra-1,3,5(10)-triene-3,15α,16α,17β-tetrol;Oestetrol
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 491.9±45.0
Melting Point 233-236
LogP 2.62
Dissociation Constants 10.22±0.70

COMPUTED DESCRIPTORS

Molecular Weight 304.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 304.16745924 g/mol
Monoisotopic Mass 304.16745924 g/mol
Topological Polar Surface Area 80.9 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 441
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

Estetrol is a 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. It has a role as an estrogen, an estrogen receptor agonist, a human metabolite, a human xenobiotic metabolite and an oral contraceptive. It is a 3-hydroxy steroid, a 17beta-hydroxy steroid, a 16alpha-hydroxy steroid, a 15alpha-hydroxy steroid and a steroid hormone. It derives from a hydride of an estrane.