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4,5,6-Tri-O-Benzyl-3-deoxy-myo-inositol
SpectraBase Compound ID 6CWlIVeWbHW
InChI InChI=1S/C27H30O5/c28-23-16-24(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)27(25(23)29)32-19-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24-,25-,26+,27+/m1/s1
InChIKey ISHBVLZOZTUVQY-XCRFIODOSA-N
Mol Weight 434.53 g/mol
Molecular Formula C27H30O5
Exact Mass 434.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1WgcYy81pr
Name 4,5,6-Tri-O-Benzyl-3-deoxy-myo-inositol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O5
InChI InChI=1S/C27H30O5/c28-23-16-24(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)27(25(23)29)32-19-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24-,25-,26+,27+/m1/s1
InChIKey ISHBVLZOZTUVQY-XCRFIODOSA-N
Molecular Weight 434.532 g/mol
SMILES O[C@@]1([C@@](C[C@]([C@@]([C@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0006-9001000000-251bb98ea0af31156a33
Source of Spectrum F-54-14908-8
Synonyms 1D-4,5,6-Tri-O-Benzyl-3-deoxy-myo-inositol 3,4,5-tris(benzyloxy)-1,2-cyclohexanediol
Wiley ID 804380