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2-O-ACETYL-3,6-DI-O-BENZYL-D-MYO-INOSITOL
SpectraBase Compound ID LWNsXaoTUIv
InChI InChI=1S/C22H26O7/c1-14(23)29-22-19(26)20(27-12-15-8-4-2-5-9-15)17(24)18(25)21(22)28-13-16-10-6-3-7-11-16/h2-11,17-22,24-26H,12-13H2,1H3/t17-,18-,19-,20+,21+,22-/m0/s1
InChIKey JBZBKJZDYZSCIT-PZENNZQWSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpUyo5QxdTb
Name 3,6-Di[O-Benzyl]-2-(O-acetyl)-D-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-14(23)29-22-19(26)20(27-12-15-8-4-2-5-9-15)17(24)18(25)21(22)28-13-16-10-6-3-7-11-16/h2-11,17-22,24-26H,12-13H2,1H3/t17-,18-,19-,20+,21+,22-/m0/s1
InChIKey JBZBKJZDYZSCIT-PZENNZQWSA-N
Molecular Weight 402.443 g/mol
SMILES O[C@]1([C@@]([C@]([C@@]([C@@]([C@@]1(OCc1ccccc1)[H])(OC(=O)C)[H])(O)[H])(OCc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0006-9212000000-ff45dae49ccb1986e10b
Source of Spectrum H-2005-3111-31
Wiley ID 1563084