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DL-3-O-Allyl-2,6-di-O-benzyl-myo-inositol
SpectraBase Compound ID jbwbA2pJY2
InChI InChI=1S/C23H28O6/c1-2-13-27-22-19(25)18(24)21(28-14-16-9-5-3-6-10-16)20(26)23(22)29-15-17-11-7-4-8-12-17/h2-12,18-26H,1,13-15H2/t18-,19-,20-,21+,22+,23-/m1/s1
InChIKey DCILNFVDEJKZDQ-LAAXVVMPSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0uXv4jcHYX
Name DL-3-O-Allyl-2,6-di-O-benzyl-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-2-13-27-22-19(25)18(24)21(28-14-16-9-5-3-6-10-16)20(26)23(22)29-15-17-11-7-4-8-12-17/h2-12,18-26H,1,13-15H2/t18-,19-,20-,21+,22+,23-/m1/s1
InChIKey DCILNFVDEJKZDQ-LAAXVVMPSA-N
Molecular Weight 400.471 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@]([C@@]([C@]1(OCc1ccccc1)[H])(O)[H])(OCc1ccccc1)[H])(OCC=C)[H])(O)[H])[H]
SPLASH splash10-0536-9804000000-3405179d42714b7b5744
Source of Spectrum J-62-8340-26
Synonyms (1R,2R,3S,4R,5R,6S)-6-(allyloxy)-3,5-bis(benzyloxy)-1,2,4-cyclohexanetriol
Wiley ID 1369480