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559-51-3

559-51-3 structural image
Product Name: kopsinine
Formula: C21H26N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 338.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 338.199428076 g/mol
Monoisotopic Mass 338.199428076 g/mol
Topological Polar Surface Area 41.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 623
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)- is a natural product found in Kopsia profunda, Kopsia officinalis, and other organisms with data available.