α-tocopherol

α-tocopherol




Chemical Formula:
C29H50O2
Molecular Weight:
430.713 Daltons
Monoisotopic Mass:
430.3810808492 Daltons
SMILES:
CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))
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
InChIKey:
GVJHHUAWPYXKBD-IEOSBIPESA-N

Synonyms
  • (2R,4'R,8'R)-α-tocopherol
  • (R,R,R)-α-tocopherol
  • 5,7,8-trimethyltocol

Databases
MetaCyc:  ALPHA-TOCOPHEROL
MetaboLights:  MTBLC18145
HMDB:  HMDB01893
LIPID MAPS:  LMPR02020001
DRUGBANK:  DB00163
ChemSpider:  14265
ChEBI:  18145
PubChem (CID):  14985
KEGG:  C02477
NCI:  82623
CAS:  2074-53-5
RefMet:  alpha-Tocopherol Alpha-tocopherol
MediaDB:  compounds/2105/
Seed:  cpd01628
MetaNetX:  MNXM2741