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Endogenous (Vitamin E)
SpectraBase Compound ID JNI4ggQ7hD0
InChI 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
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6prywhhE34i
Name alpha-Tocopherol
Alternate Name(s) (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
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Formula C29H50O2
InChI 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
Molecular Weight 430.717 g/mol
SMILES Oc1c(c2c(c(c1C)C)O[C@](CC2)(C)CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C
SPLASH splash10-00lr-0710900000-80a271aa4435492edb53
Source of Spectrum SFA-97-2089-Table4,entry5
Wiley ID 1813772