Structure Database (LMSD)
Common Name
beta-tocotrienol
Systematic Name
2R,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
- (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
- beta-tocotrienol
- epsilon-tocopherol
3D model of beta-tocotrienol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
β-Tocotrienol is a less potent antioxidant than α-tocotrienol .1 A high cholesterol diet supplemented with a mixture of α- and β-tocopherols and tocotrienols has been shown to lower hepatic cholesterol and cholesterol ester concentration and to reduce atherosclerotic lesions in ApoE+/- mice.2 [Matreya, LLC. Catalog No. 2110]
This information has been provided by Cayman Chemical
References
1. Kamal-Eldin, A., and Appelqvist, L.-Å. The chemistry and antioxidant properties of tocopherols and tocotrienols. Lipids 31(7), 671-701 (1996).
String Representations
InChiKey (Click to copy)
FGYKUFVNYVMTAM-WAZJVIJMSA-N
InChi (Click to copy)
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
SMILES (Click to copy)
CC1C(=CC(=C2O[C@@](C)(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
2
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
459.08
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.58
Molar Refractivity
130.09
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