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Vitamin E acetate
PHCD compound ID : 4592
Chemical Names :
Vitamin E acetate
Molecular Formula : C31H52O3
Molecular Weight : 472.391646
More Details :
Names & Synonyms: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate , acetic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester , [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate , [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] ethanoate , acetic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] ester
Smiles: C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCC[C@@H](CCCC(C)C)C
InChi : InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
InChi Key : InChIKey=ZAKOWWREFLAJOT-CEFNRUSXSA-N
PubChem ID : 86472
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 3 Ionization potential : 8.306781
Hydrogen bond donor count : 0 Electric dipole moment : 2.061
XLogP : 10.886 VDW volume : 524.94391
Molecular weight : 472.391646 HOMO-LUMO gap : 8.770000
Herb list :
Refrences & Litretures:
  
710.      Journal:'Rev. Latinoamer. Qu?m'      Year:'2007'      Volume:'35'      Page:'47'      DOI:''      Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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