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25612-59-3

25612-59-3 structural image
Product Name: tocotrienol, delta
Formula: C27H40O2
Synonyms: (R)-δ-Tocotrienol;(R-(E,E))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;[R-(E,E)]-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;8-Methyltocotrienol
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2985

COMPUTED DESCRIPTORS

Molecular Weight 396.6 g/mol
XLogP3 8.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 396.302830514 g/mol
Monoisotopic Mass 396.302830514 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 596
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

Delta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2. It has a role as a plant metabolite, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a Saccharomyces cerevisiae metabolite, a radiation protective agent, an anti-inflammatory agent and a bone density conservation agent. It is a tocotrienol and a vitamin E.