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490-23-3

490-23-3 structural image
Product Name: D-beta- Tocotrienol
Formula: C28H42O2
Synonyms: (R)-β-Tocotrienol;[R-(E,E)]-3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;[R-(E,E)]-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;(R)-γ-Tocotrienol
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 3069

COMPUTED DESCRIPTORS

Molecular Weight 410.6 g/mol
XLogP3 8.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 410.318480578 g/mol
Monoisotopic Mass 410.318480578 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 625
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a tocotrienol and a vitamin E.