β-tocopherol

Chemical Formula:

C₂₈H₄₈O₂

Molecular Weight:

416.686 Daltons

Monoisotopic Mass:

416.365430785 Daltons

SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=CC(=C(O1)2)C)C))

InChI:

1S/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:

WGVKWNUPNGFDFJ-DQCZWYHMSA-N

Synonyms

Databases

MetaCyc: BETA-TOCOPHEROL

MetaboLights: MTBLC47771

HMDB: HMDB06335

ChemSpider: 5256784

ChEBI: 47771

PubChem (CID): 6857447

KEGG: C14152

RefMet: beta-tocopherol Beta-tocopherol

Seed: cpd09851

MetaNetX: MNXM4488