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γ-Tocotrienol

γ-Tocotrienol structure

CAS No:
14101-61-2
Formula:
C28H42O2
Chemical Name:
γ-Tocotrienol
Synonyms:
2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-,(2R)-;6-Chromanol,2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-,[R-(E,E)]-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-,(2R)-;(2R)-3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol;7,8-Dimethyltocotrienol;γ-Tocotrienol;Plastochromanol 3;(R)-γ-Tocotrienol;D-γ-Tocotrienol;986-74-3;30803-21-5
Categories:
Analytical Chemistry > Standard

Description

g:d:aTocotrienol 1.6:0.4:1ChEBI: A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2.

Solid

Gamma-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. It has a role as an antioxidant, an antineoplastic agent, a plant metabolite, a radiation protective agent, an apoptosis inducer and a hepatoprotective agent. It is a tocotrienol and a vitamin E.

γ-Tocotrienol Basic Attributes

Molecular Weight：

410.642

Exact Mass：

410.63

EC Number：

604-216-1

UNII：

185QAE24TR

Characteristics

PSA：

29.5

XLogP3：

10.30

Density：

0.964±0.06 g/cm3(Predicted)

Boiling Point：

530.8±49.0 °C(Predicted)

Flash Point：

218.4±24.1 °C

Refractive Index：

1.523

Water Solubility：

1.929e-006 mg/L @ 25 °C (est)

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

gamma-tocotrienol

γ-Tocotrienol Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin E [PR0202]

Computed Properties

Molecular Weight:410.6
XLogP3:8.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:410.318480578
Monoisotopic Mass:410.318480578
Topological Polar Surface Area:29.5
Heavy Atom Count:30
Complexity:625
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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