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4,5,6-Tri-O-benzyl-2,3-dideoxy-myo-inositol
SpectraBase Compound ID CA1MwcTOJxm
InChI InChI=1S/C27H30O4/c28-24-16-17-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25-,26+,27+/m1/s1
InChIKey AVJYMXQMWJUQKG-XDZXDJIYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C27H30O4
Exact Mass 418.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 871c18FCAhF
Name 4,5,6-Tri-O-benzyl-2,3-dideoxy-myo-inositol
Alternate Name(s) 1D-4,5,6-Tri-O-benzyl-2,3-dideoxy-myo-inositol 2,3,4-Tris(benzyloxy)cyclohexanol 2,3,4-tris(phenylmethoxy)-1-cyclohexanol 2,3,4-Tribenzyloxycyclohexanol 2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O4
InChI InChI=1S/C27H30O4/c28-24-16-17-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25-,26+,27+/m1/s1
InChIKey AVJYMXQMWJUQKG-XDZXDJIYSA-N
Molecular Weight 418.533 g/mol
SMILES O[C@]1([C@@]([C@@](OCc2ccccc2)([C@](OCc2ccccc2)(CC1)[H])[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-97a9f497dd3deb0b7fab
Source of Spectrum F-54-14910-11
Wiley ID 804374