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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 L55fMoMNlVp
Name alpha-Tocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2CC[C@](Oc2c(c1C)C)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C
SPLASH splash10-001i-0400900000-2f93fc8401ee3080670b
Source of Spectrum PA-21-236-Table1,Compound15
Synonyms (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Wiley ID 1787636