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(2-Hydroxy-5-methyl-phenyl)-5a-alpha-tocopherol
SpectraBase Compound ID 5lHRU7l1R0x
InChI InChI=1S/C36H56O3/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-36(8)21-19-31-32(23-30-22-27(5)17-18-33(30)37)34(38)28(6)29(7)35(31)39-36/h17-18,22,24-26,37-38H,9-16,19-21,23H2,1-8H3/t25-,26-,36-/m1/s1
InChIKey ZIOYFEFMTUCIJF-PDOBOUQHSA-N
Mol Weight 536.8 g/mol
Molecular Formula C36H56O3
Exact Mass 536.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8Bmm1vEFA8
Name (2-Hydroxy-5-methyl-phenyl)-5a-alpha-tocopherol
Alternate Name(s) (R)-5-(2-hydroxy-5-methylbenzyl)-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
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Formula C36H56O3
InChI InChI=1S/C36H56O3/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-36(8)21-19-31-32(23-30-22-27(5)17-18-33(30)37)34(38)28(6)29(7)35(31)39-36/h17-18,22,24-26,37-38H,9-16,19-21,23H2,1-8H3/t25-,26-,36-/m1/s1
InChIKey ZIOYFEFMTUCIJF-PDOBOUQHSA-N
Molecular Weight 536.841 g/mol
SMILES Oc1c(c(c2c(c1Cc1cc(ccc1O)C)CC[C@](O2)(CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])C)C)C
SPLASH splash10-00kr-0642590000-6b49787e45b36146b9b3
Source of Spectrum JF-338-652-19
Wiley ID 1789992