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1-Acetyl-2,3,4,5-tetra-O-benzyl-myo-inositol

View entire compound with spectra: 1 MS (GC)

1-Acetyl-2,3,4,5-tetra-O-benzyl-myo-inositol
SpectraBase Compound ID Fae4GzosPfs
InChI InChI=1S/C36H38O7/c1-26(37)36(39)34(38)32(41-23-28-16-8-3-9-17-28)31(40-22-27-14-6-2-7-15-27)33(42-24-29-18-10-4-11-19-29)35(36)43-25-30-20-12-5-13-21-30/h2-21,31-35,38-39H,22-25H2,1H3/t31-,32-,33+,34+,35+,36-/m1/s1
InChIKey BIKUUHAFYWELQO-UZMDSWHCSA-N
Mol Weight 582.7 g/mol
Molecular Formula C36H38O7
Exact Mass 582.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UGpIPRat7b
Name 1-Acetyl-2,3,4,5-tetra-O-benzyl-myo-inositol
Alternate Name(s) 1-[(1R,2S,3S,4R,5S,6S)-2,3,4,5-tetrakis(benzyloxy)-1,6-dihydroxycyclohexyl]ethanone
CAS Registry Number 135096-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O7
InChI InChI=1S/C36H38O7/c1-26(37)36(39)34(38)32(41-23-28-16-8-3-9-17-28)31(40-22-27-14-6-2-7-15-27)33(42-24-29-18-10-4-11-19-29)35(36)43-25-30-20-12-5-13-21-30/h2-21,31-35,38-39H,22-25H2,1H3/t31-,32-,33+,34+,35+,36-/m1/s1
InChIKey BIKUUHAFYWELQO-UZMDSWHCSA-N
Molecular Weight 582.693 g/mol
SMILES O[C@]1([C@@]([C@]([C@@]([C@@]([C@]1(C(=O)C)O)(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9100000000-3a69c83524e1dc916026
Source of Spectrum K-124-2276-18
Wiley ID 1408693