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6474-90-4

6474-90-4 structural image
Product Name: TETRAHYDROALSTONINE
Formula: C21H24N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 352.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 352.17869263 g/mol
Monoisotopic Mass 352.17869263 g/mol
Topological Polar Surface Area 54.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 606
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Tetrahydroalstonine is a heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. It has a role as a plant metabolite. It is a yohimban alkaloid, an organic heteropentacyclic compound and a methyl ester. It is a conjugate base of a tetrahydroalstonine(1+).