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alpha-Tocopherylquinone
SpectraBase Compound ID A6KqZpqyXTc
InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey LTVDFSLWFKLJDQ-IEOSBIPESA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7Yfdg3ZuuY
Name alpha-Tocopherylquinone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey LTVDFSLWFKLJDQ-IEOSBIPESA-N
Molecular Weight 446.716 g/mol
SMILES O[C@](CCC=1C(C(=C(C)C(C1C)=O)C)=O)(C)CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H]
SPLASH splash10-0159-0920700000-215f8673b7f641d4add3
Source of Spectrum QA-47-1133-4
Synonyms 2-((3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Wiley ID 1795158