beta-tocopherol

PubChem Notes:

beta-Tocopherol A natural tocopherol with less antioxidant activity than alpha-tocopherol. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in GAMMA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites.

Molecular Formula: C28H48O2


InChI: InChI=1/C28H48O2/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/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

InChIKey: InChIKey=WGVKWNUPNGFDFJ-DQCZWYHMBJ
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1

CAS number 16698-35-4

Names:
    BETA-TOCOPHEROL
    beta-tocopherol
    CHEBI:22855
    (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
    (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
    (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
    (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-
    16698-35-4
    5,8-Dimethyltocol
    5,8-dimethyltocol

Registries:
    PubChem CID 6857447
    Beilstein =93070
    CAS 16698-35-4 (from NIST)
    ChEBI 22855
    PubChem ID 11533449