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erythro-9,14-dihydroxy-10-(hydroxymethyl)-1-(phenylthio)-3,7,13-trimethyltetradeca-(E,E,E)-2,6,12-triene
SpectraBase Compound ID HdBOZlfdt1A
InChI InChI=1S/C24H36O3S/c1-19(14-15-28-23-10-5-4-6-11-23)8-7-9-20(2)16-24(27)22(18-26)13-12-21(3)17-25/h4-6,9-12,14,22,24-27H,7-8,13,15-18H2,1-3H3/b19-14+,20-9+,21-12+
InChIKey KFVJXYCFOPEGDZ-WYERIXSOSA-N
Mol Weight 404.6 g/mol
Molecular Formula C24H36O3S
Exact Mass 404.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjI1GNtBwcW
Name erythro-9,14-dihydroxy-10-(hydroxymethyl)-1-(phenylthio)-3,7,13-trimethyltetradeca-(E,E,E)-2,6,12-triene
CAS Registry Number 97634-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3S
InChI InChI=1S/C24H36O3S/c1-19(14-15-28-23-10-5-4-6-11-23)8-7-9-20(2)16-24(27)22(18-26)13-12-21(3)17-25/h4-6,9-12,14,22,24-27H,7-8,13,15-18H2,1-3H3/b19-14+,20-9+,21-12+
InChIKey KFVJXYCFOPEGDZ-WYERIXSOSA-N
Molecular Weight 404.609 g/mol
SMILES OC(C(CO)C\C=C\(CO)C)C\C(=C\CC\C(=C\CSc1ccccc1)C)C
SPLASH splash10-0006-9300000000-a25a0a9f11d3d33a43ea
Source of Spectrum J-50-3773-21
Synonyms (2E,8E,12E)-5-(hydroxymethyl)-2,8,12-trimethyl-14-(phenylsulfanyl)-2,8,12-tetradecatriene-1,6-diol
Wiley ID 1371428