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tocopherols
PHCD compound ID : 4163
Chemical Names :
tocopherols
Molecular Formula : C28H48O2
Molecular Weight : 416.365431
More Details :
Names & Synonyms: 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol , 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol , 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Smiles: C[C@@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2)O)C
InChi : InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22+,28-/m1/s1
InChi Key : InChIKey=QUEDXNHFTDJVIY-RZIGYZOXSA-N
PubChem ID : 14986
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 8.130856
Hydrogen bond donor count : 1 Electric dipole moment : 2.159
XLogP : 10.514 VDW volume : 466.902188
Molecular weight : 416.365431 HOMO-LUMO gap : 8.455000
Herb list :
Refrences & Litretures:
  
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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