D-α-tocopherol acetate

Also known as Tocopherol acetate, RRR-alpha-tocopheryl acetate, D-alpha tocoferil acetate, (+)-alfa-tocopherol acetate, D-alpha tocopheryl acetate, D-alpha-Tocopheryl acetate, Vitamin E acetate, D-, D-alpha-Tocopherol acetate

chemical compound

Chemical data

Formula: C31H52O3
Molecular weight: 472.7 g/mol
IUPAC name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
SMILES: CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N
XLogP: 10.8
Polar surface area: 35.5 Å²
H-bond donors: 0
H-bond acceptors: 3
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Mass: 472.392

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chemical formula: C₃₁H₅₂O₃
canonical SMILES: CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
isomeric SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1
NCI Thesaurus ID: C74962
melting point: -28.0
found in taxon: Senegalia polyacantha

Sources (2)

via Wikidata · CC0