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3563-27-7

3563-27-7 structural image
Product Name: estra-1,3,5(10),7-tetraene-3,17beta-diol
Formula: C18H22O2
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COMPUTED DESCRIPTORS

Molecular Weight 270.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 270.161979940 g/mol
Monoisotopic Mass 270.161979940 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 429
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

7,8-didehydro-17beta-estradiol is a 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol. It has a role as a metabolite. It is a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to an androstane.