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DL-3-O-Ethyl-2,6-di-O-benzyl-myo-inositol
SpectraBase Compound ID I3Fwr158knQ
InChI InChI=1S/C22H28O6/c1-2-26-21-18(24)17(23)20(27-13-15-9-5-3-6-10-15)19(25)22(21)28-14-16-11-7-4-8-12-16/h3-12,17-25H,2,13-14H2,1H3/t17-,18-,19-,20+,21+,22-/m1/s1
InChIKey JDHAITHRPMURBS-YGBDOONVSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 224gPu2JiIe
Name DL-3-O-Ethyl-2,6-di-O-benzyl-myo-inositol
Alternate Name(s) (1R,2R,3S,4R,5R,6S)-3,5-bis(benzyloxy)-6-ethoxy-1,2,4-cyclohexanetriol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-2-26-21-18(24)17(23)20(27-13-15-9-5-3-6-10-15)19(25)22(21)28-14-16-11-7-4-8-12-16/h3-12,17-25H,2,13-14H2,1H3/t17-,18-,19-,20+,21+,22-/m1/s1
InChIKey JDHAITHRPMURBS-YGBDOONVSA-N
Molecular Weight 388.460 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@]([C@@]([C@]1(OCc1ccccc1)[H])(O)[H])(OCc1ccccc1)[H])(OCC)[H])(O)[H])[H]
SPLASH splash10-0536-6920000000-cbb2a54da472838ed6dc
Source of Spectrum J-62-8339-21
Wiley ID 1363891