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(4-Hydroxyphenyl)-5a-alpha-tocopherol
SpectraBase Compound ID 3YFfLMp04zR
InChI InChI=1S/C35H54O3/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-35(7)22-20-31-32(23-29-16-18-30(36)19-17-29)33(37)27(5)28(6)34(31)38-35/h16-19,24-26,36-37H,8-15,20-23H2,1-7H3/t25-,26-,35-/m1/s1
InChIKey MIGVNTVKXDLEOD-AZAGJHQNSA-N
Mol Weight 522.8 g/mol
Molecular Formula C35H54O3
Exact Mass 522.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAYR2etOthn
Name (4-Hydroxyphenyl)-5a-alpha-tocopherol
Alternate Name(s) (R)-5-(4-hydroxybenzyl)-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H54O3
InChI InChI=1S/C35H54O3/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-35(7)22-20-31-32(23-29-16-18-30(36)19-17-29)33(37)27(5)28(6)34(31)38-35/h16-19,24-26,36-37H,8-15,20-23H2,1-7H3/t25-,26-,35-/m1/s1
InChIKey MIGVNTVKXDLEOD-AZAGJHQNSA-N
Literature Reference DOI 10.1002/prac.199633801123
Molecular Weight 522.814 g/mol
SMILES Oc1c(c(c2c(c1Cc1ccc(cc1)O)CC[C@](O2)(CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])C)C)C
SPLASH splash10-0629-1453590000-c425a8e7cb81becea863
Source of Spectrum JF-338-652-17
Wiley ID 1789990