(+)alpha-tocopherol
(+)alpha-tocopherol synonyms
(2R,4'R,8'R)-Alpha-tocopherol; Tocopherol (R,S); Prestwick_653; Tocopherol; alpha-Tocopherol; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol; (+)-alpha-tocopherol; (R,R,R)-alpha-tocopherol; 5,7,8-trimethyltocol; Vitamin E; (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
Graphical representations:
View large 3D structure
Molecular Formula: C29H50O2
Natural Isotopic Abundance Mass: 430.7061
Mono-Isotopic Molecular Masses:
- C12N14: 430.3810808492
- C13N14: 459.4783711454
- C12N15: 430.3810808492
- C13N15: 459.4783711454
InChI string: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
PubChem Compound (CID): 14985CAS Registry number: 59-02-9 10191-41-0
Sigma-Aldrich: T1539_SIGMA
EPA DSSTox: 26340
ChemBank: BPBio1_000362
ChEBI: CHEBI:18145
LipidMAPS: LMPR02020001
ZINC: ZINC04095858
PDSP: Prestwick_653
DrugBank: DB00163
MMDB: 26032.4
KEGG Compound ID: C02477
MMCD: cq_01526
MDL: MFCD00072045
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)