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(2-Hydroxyphenyl)-5a-alpha-tocopherol
SpectraBase Compound ID Dr8J9CJ5M4J
InChI InChI=1S/C35H54O3/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-21-35(7)22-20-30-31(23-29-18-8-9-19-32(29)36)33(37)27(5)28(6)34(30)38-35/h8-9,18-19,24-26,36-37H,10-17,20-23H2,1-7H3/t25-,26-,35-/m1/s1
InChIKey BCAOJOVUTOWHBT-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 6wFMajnE7AX
Name (2-Hydroxyphenyl)-5a-alpha-tocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H54O3
InChI InChI=1S/C35H54O3/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-21-35(7)22-20-30-31(23-29-18-8-9-19-32(29)36)33(37)27(5)28(6)34(30)38-35/h8-9,18-19,24-26,36-37H,10-17,20-23H2,1-7H3/t25-,26-,35-/m1/s1
InChIKey BCAOJOVUTOWHBT-AZAGJHQNSA-N
Literature Reference DOI 10.1002/prac.199633801123
Molecular Weight 522.814 g/mol
SMILES Oc1c(c(c2c(c1Cc1ccccc1O)CC[C@](O2)(CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])C)C)C
SPLASH splash10-06di-2544960000-f70a6a870b02221e6d4b
Source of Spectrum JF-338-652-18
Synonyms (R)-5-(2-hydroxybenzyl)-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
Wiley ID 1789991