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δ-Tocotrienol

δ-Tocotrienol structure

CAS No:
25612-59-3
Formula:
C27H40O2
Chemical Name:
δ-Tocotrienol
Synonyms:
2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-,(2R)-;6-Chromanol,2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-,[R-(E,E)]-;2H-1-Benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-,(2R)-;(2R)-3,4-Dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol;δ-Tocotrienol;8-Methyltocotrienol;(R)-δ-Tocotrienol;d-δ-Tocotrienol;1175-39-9
Categories:
Natural Products > Phenols

Description

ChEBI: A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2.

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.

δ-Tocotrienol Basic Attributes

Molecular Weight：

396.6

Exact Mass：

396.61

EC Number：

607-758-7

UNII：

1SRB74OWSI

DSSTox ID：

DTXSID30180288

HScode：

29061990

Characteristics

PSA：

29.46000

XLogP3：

9.84

Density：

1.0±0.1 g/cm3

Boiling Point：

517.3±39.0 °C at 760 mmHg

Flash Point：

212.8±21.3 °C

Refractive Index：

1.524

Water Solubility：

6.914e-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：

delta-tocotrienol

δ-Tocotrienol Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:396.6
XLogP3:8.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:396.302830514
Monoisotopic Mass:396.302830514
Topological Polar Surface Area:29.5
Heavy Atom Count:29
Complexity:596
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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