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61263-49-8

61263-49-8 structural image
Product Name: Vitexilactone
Formula: C22H34O5
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COMPUTED DESCRIPTORS

Molecular Weight 378.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 378.24062418 g/mol
Monoisotopic Mass 378.24062418 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 651
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Vitexilactone is a labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is an acetate ester, a carbobicyclic compound, a labdane diterpenoid, a tertiary alcohol and a butenolide.