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97233-06-2

97233-06-2 structural image
Product Name: Cinnamtannin D1
Formula: C45H36O18
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 300 °C

COMPUTED DESCRIPTORS

Molecular Weight 864.8 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 4
Exact Mass 864.19016430 g/mol
Monoisotopic Mass 864.19016430 g/mol
Topological Polar Surface Area 320 Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1610
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Cinnamtannin D-1 is a proanthocyanidin found in Cinnamomum cassia. It has a role as a cyclooxygenase 2 inhibitor and a plant metabolite.