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1-O-Benzoyl-4,5,6-tri-O-benzyl-2,3-dideoxy-myo-inositol
SpectraBase Compound ID H4ZCGTQEBLW
InChI InChI=1S/C34H34O5/c35-34(29-19-11-4-12-20-29)39-31-22-21-30(36-23-26-13-5-1-6-14-26)32(37-24-27-15-7-2-8-16-27)33(31)38-25-28-17-9-3-10-18-28/h1-20,30-33H,21-25H2/t30-,31-,32+,33+/m1/s1
InChIKey WCOVEBYLIHSJFP-FYZVQMPESA-N
Mol Weight 522.6 g/mol
Molecular Formula C34H34O5
Exact Mass 522.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcgfnlcqKRH
Name 1-O-Benzoyl-4,5,6-tri-O-benzyl-2,3-dideoxy-myo-inositol
Comments Less than 3 mono-isotopic peaks
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Formula C34H34O5
InChI InChI=1S/C34H34O5/c35-34(29-19-11-4-12-20-29)39-31-22-21-30(36-23-26-13-5-1-6-14-26)32(37-24-27-15-7-2-8-16-27)33(31)38-25-28-17-9-3-10-18-28/h1-20,30-33H,21-25H2/t30-,31-,32+,33+/m1/s1
InChIKey WCOVEBYLIHSJFP-FYZVQMPESA-N
Molecular Weight 522.641 g/mol
SMILES [C@@]1([C@@](OCc2ccccc2)([C@](OCc2ccccc2)(CC[C@]1(OC(=O)c1ccccc1)[H])[H])[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-37ef8a7511307e3fbabe
Source of Spectrum F-54-14910-14
Synonyms 1D-1-O-Benzoyl-4,5,6-tri-O-benzyl-2,3-dideoxy-myo-inositol 2,3,4-tris(benzyloxy)cyclohexyl benzoate
Wiley ID 804375