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DL-3-O-Propyl-2,6-di-O-benzyl-myo-inositol
SpectraBase Compound ID KwJUhVnmxGf
InChI InChI=1S/C23H30O6/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/h3-12,18-26H,2,13-15H2,1H3/t18-,19-,20-,21+,22+,23-/m1/s1
InChIKey VIGRVLHCVJXZFD-LAAXVVMPSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLyO22KwuJI
Name DL-3-O-Propyl-2,6-di-O-benzyl-myo-inositol
Alternate Name(s) (1R,2R,3S,4R,5R,6S)-3,5-bis(benzyloxy)-6-propoxy-1,2,4-cyclohexanetriol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/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/h3-12,18-26H,2,13-15H2,1H3/t18-,19-,20-,21+,22+,23-/m1/s1
InChIKey VIGRVLHCVJXZFD-LAAXVVMPSA-N
Molecular Weight 402.487 g/mol
SMILES O[C@@]1([C@]([C@@]([C@@]([C@@]([C@]1(OCc1ccccc1)[H])(O)[H])(OCc1ccccc1)[H])(OCCC)[H])(O)[H])[H]
SPLASH splash10-0536-8930000000-f4cd47a8a7c265411ccf
Source of Spectrum J-62-8339-22
Wiley ID 1370431