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dl-3-o-Allyl-2,6-di-o-benzyl-myo-inositol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUTzHeS5Err
Name dl-3-o-Allyl-2,6-di-o-benzyl-myo-inositol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.188588616 u
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 [C@@]1([C@]([C@@](OCC2=CC=CC=C2)([C@]([C@@]([C@]1(O)[H])(O)[H])(OCC=C)[H])[H])(O)[H])(OCC=1C=CC=CC1)[H]