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(3-tert-Butyl-2-hydroxy-5-methyl-phenyl)-5a-alpha-tocopherol
SpectraBase Compound ID IvaCD11axVD
InChI InChI=1S/C40H64O3/c1-26(2)15-12-16-27(3)17-13-18-28(4)19-14-21-40(11)22-20-33-34(36(41)30(6)31(7)38(33)43-40)25-32-23-29(5)24-35(37(32)42)39(8,9)10/h23-24,26-28,41-42H,12-22,25H2,1-11H3/t27-,28-,40-/m1/s1
InChIKey MPDMPEZIKSXKCX-NSMFHURGSA-N
Mol Weight 592.9 g/mol
Molecular Formula C40H64O3
Exact Mass 592.485546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6I7k4VKkrF
Name (3-tert-Butyl-2-hydroxy-5-methyl-phenyl)-5a-alpha-tocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H64O3
InChI InChI=1S/C40H64O3/c1-26(2)15-12-16-27(3)17-13-18-28(4)19-14-21-40(11)22-20-33-34(36(41)30(6)31(7)38(33)43-40)25-32-23-29(5)24-35(37(32)42)39(8,9)10/h23-24,26-28,41-42H,12-22,25H2,1-11H3/t27-,28-,40-/m1/s1
InChIKey MPDMPEZIKSXKCX-NSMFHURGSA-N
Literature Reference DOI 10.1002/prac.199633801123
Molecular Weight 592.949 g/mol
SMILES Oc1c(c(c2c(c1Cc1cc(cc(c1O)C(C)(C)C)C)CC[C@](O2)(CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])C)C)C
SPLASH splash10-066u-9822420000-669fec82dae3fd6b7a67
Source of Spectrum JF-338-652-16
Synonyms (R)-5-(3-(tert-butyl)-2-hydroxy-5-methylbenzyl)-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Wiley ID 1789989