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(3,5-Di-tert-butyl-4-hydroxy-phenyl)-5a-alpha-tocopherol
SpectraBase Compound ID FYK9DcF7iR
InChI InChI=1S/C43H70O3/c1-28(2)17-14-18-29(3)19-15-20-30(4)21-16-23-43(13)24-22-34-35(38(44)31(5)32(6)40(34)46-43)25-33-26-36(41(7,8)9)39(45)37(27-33)42(10,11)12/h26-30,44-45H,14-25H2,1-13H3/t29-,30-,43-/m1/s1
InChIKey GPLKXSZVEHKPBG-TVWQJLKLSA-N
Mol Weight 635.0 g/mol
Molecular Formula C43H70O3
Exact Mass 634.532496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ghfL389pBN
Name (3,5-Di-tert-butyl-4-hydroxy-phenyl)-5a-alpha-tocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H70O3
InChI InChI=1S/C43H70O3/c1-28(2)17-14-18-29(3)19-15-20-30(4)21-16-23-43(13)24-22-34-35(38(44)31(5)32(6)40(34)46-43)25-33-26-36(41(7,8)9)39(45)37(27-33)42(10,11)12/h26-30,44-45H,14-25H2,1-13H3/t29-,30-,43-/m1/s1
InChIKey GPLKXSZVEHKPBG-TVWQJLKLSA-N
Literature Reference DOI 10.1002/prac.199633801123
Molecular Weight 635.030 g/mol
SMILES Oc1c(c(c2c(c1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC[C@](O2)(CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])C)C)C
SPLASH splash10-0a4i-9241101000-1a4ec31f66c05dc50f25
Source of Spectrum JF-338-652-15
Synonyms (R)-5-(3,5-di-tert-butyl-4-hydroxybenzyl)-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Wiley ID 1789988