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47676-48-2

47676-48-2 structural image
Product Name: 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL ETHYL ESTER
Formula: C26H44O5
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COMPUTED DESCRIPTORS

Molecular Weight 436.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 436.31887450 g/mol
Monoisotopic Mass 436.31887450 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 666
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

Ethyl cholate is a natural product found in Streptomyces parvulus with data available.