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80-91-1

80-91-1 structural image
Product Name: 5-BETA-PREGNAN-3-ALPHA, 20-BETA-DIOL
Formula: C21H36O2
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COMPUTED DESCRIPTORS

Molecular Weight 320.5 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 320.271530387 g/mol
Monoisotopic Mass 320.271530387 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 463
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.