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1,4,5,6-TETRA-O-BENZOYL-2,3-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-D-CHIRO-INOSITOL
SpectraBase Compound ID 3dBaJlscCfC
InChI InChI=1S/C40H38O12/c1-39(45-3)40(2,46-4)52-34-32(50-38(44)28-23-15-8-16-24-28)30(48-36(42)26-19-11-6-12-20-26)29(47-35(41)25-17-9-5-10-18-25)31(33(34)51-39)49-37(43)27-21-13-7-14-22-27/h5-24,29-34H,1-4H3/t29-,30-,31+,32+,33+,34+,39?,40?/m0/s1
InChIKey VJTJJBBBWNFPSD-XRHPZBPRSA-N
Mol Weight 710.7 g/mol
Molecular Formula C40H38O12
Exact Mass 710.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YfOMjCgjIX
Name 1,4,5,6-TETRA-O-BENZOYL-2,3-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-D-CHIRO-INOSITOL
Compound Number 25D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38O12
InChI InChI=1S/C40H38O12/c1-39(45-3)40(2,46-4)52-34-32(50-38(44)28-23-15-8-16-24-28)30(48-36(42)26-19-11-6-12-20-26)29(47-35(41)25-17-9-5-10-18-25)31(33(34)51-39)49-37(43)27-21-13-7-14-22-27/h5-24,29-34H,1-4H3/t29-,30-,31+,32+,33+,34+,39?,40?/m0/s1
InChIKey VJTJJBBBWNFPSD-XRHPZBPRSA-N
Literature Reference Author M.B.CID,I.ALONSO,F.ALFONSO,J.B.BONILLA.J.LOPEZ-PRADOS,M.MART IN-LOMAS
Literature Reference Citation EUR.J.ORG.CHEM.,3947(2006)
Molecular Weight 710.735 g/mol
Sample ID 44632
Solvent CDCl3