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1-O-Benzoyl-4,5,6-tribenzyl-3-deoxy-myo-inositol

View entire compound with spectra: 1 MS (GC)

1-O-Benzoyl-4,5,6-tribenzyl-3-deoxy-myo-inositol
SpectraBase Compound ID 3ilaKiRc3eS
InChI InChI=1S/C34H34O6/c35-29-21-30(37-22-25-13-5-1-6-14-25)32(38-23-26-15-7-2-8-16-26)33(39-24-27-17-9-3-10-18-27)31(29)40-34(36)28-19-11-4-12-20-28/h1-20,29-33,35H,21-24H2/t29-,30-,31-,32+,33+/m1/s1
InChIKey ZYPLDNMWBKYMRC-GRIKCTGOSA-N
Mol Weight 538.6 g/mol
Molecular Formula C34H34O6
Exact Mass 538.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBIEI3DdQPD
Name 1-O-Benzoyl-4,5,6-tribenzyl-3-deoxy-myo-inositol
Alternate Name(s) 1D-1-O-Benzoyl-4,5,6-tribenzyl-3-deoxy-myo-inositol 2,3,4-tris(benzyloxy)-6-hydroxycyclohexyl benzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34O6
InChI InChI=1S/C34H34O6/c35-29-21-30(37-22-25-13-5-1-6-14-25)32(38-23-26-15-7-2-8-16-26)33(39-24-27-17-9-3-10-18-27)31(29)40-34(36)28-19-11-4-12-20-28/h1-20,29-33,35H,21-24H2/t29-,30-,31-,32+,33+/m1/s1
InChIKey ZYPLDNMWBKYMRC-GRIKCTGOSA-N
Molecular Weight 538.640 g/mol
SMILES O[C@]1([C@]([C@@]([C@]([C@](OCc2ccccc2)(C1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-792a5f172bc4e54d999b
Source of Spectrum F-54-14909-12
Wiley ID 804377