α-Tocotrienol

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Properties Simple | Detailed

Formula C29H44O2
IUPAC Name (2r)-2,5,7,8-tetramethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
Molecular Mass 424.658 g·mol−1
Heat of Formation -577.7 ± 16.7 kJ·mol−1
Dipole Moment 0.86 ± 1.08 D
Volume 591.92 Å 3
Surface Area 406.86 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-6-chromanol
  • (2r)-2,5,7,8-tetramethyl-2-(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-trien-1-yl]-3,4-dihydro-2h-chromen-6-ol
  • (2r)-2,5,7,8-tetramethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-6-chromanol
  • (2r)-2,5,7,8-tetramethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
  • (2r,3'e,7'e)-alpha-tocotrienol
  • (r)-alpha-tocotrienol
  • 2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [r-(e,e)]-
  • 2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3e,7e)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2r)-
  • 2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3e,7e)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2r)- (9ci)
  • d-alpha-tocotrienol
  • zeta1-tocopherol
CAS Number(s)
  • 58864-81-6
  • 1721-51-3
InChIKey RZFHLOLGZPDCHJ-XZXLULOTSA-N
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