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Home > Encyclopedia > (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol structure

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol 

structure
  • CAS No:

    1721-51-3

  • Formula:

    C29H44O2

  • Chemical Name:

    (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol

  • Synonyms:

    (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol;tocotrienol, alpha;3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol;5,7,8-Trimethyltocotrienol;ξ1-Tocopherol;ξ1-Tokoferol;C14153;D-α-Tocotrienol,3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

ChEBI: A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis.

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol Basic Attributes

424.66

424.66

TSCA listed

colorless to brown

Characteristics

29.5 Ų

0.960±0.06 g/cm3(Predicted)

30-31°C

541.7±50.0 °C(Predicted)

11.40±0.40(Predicted)

−20°C

Safety Information

3

Drug Information

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

alpha-tocotrienol

(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol Use and Manufacturing

Uses

Alpha-Tocotrienol is a vitamin E analog with anti-apoptotic neuroprotective action and antioxidant properties. Alpha-Tocotrienol prevents oxidative stress-independent apoptotic cell death, DNA cleavage, and nuclear morphological changes[1].

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:424.7
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:424.334130642
Monoisotopic Mass:424.334130642
Topological Polar Surface Area:29.5
Heavy Atom Count:31
Complexity:654
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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