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55085-44-4

55085-44-4 structural image
Product Name: O12'-Demethylsecoobaberine
Formula: C37H38N2O8
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COMPUTED DESCRIPTORS

Molecular Weight 638.7 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 10
Exact Mass 638.26281617 g/mol
Monoisotopic Mass 638.26281617 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Baluchistanamine is a natural product found in Berberis integerrima, Berberis vulgaris, and Berberis lycium with data available.