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1,4,5,6-TETRA-O-BENZYL-2,3-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-D-CHIRO-INOSITOL
SpectraBase Compound ID 5jpOVt5hF2H
InChI InChI=1S/C40H46O8/c1-39(41-3)40(2,42-4)48-38-36(46-28-32-23-15-8-16-24-32)34(44-26-30-19-11-6-12-20-30)33(43-25-29-17-9-5-10-18-29)35(37(38)47-39)45-27-31-21-13-7-14-22-31/h5-24,33-38H,25-28H2,1-4H3/t33-,34-,35+,36+,37+,38+,39?,40?/m1/s1
InChIKey IOZKMWOOJHOQDA-HNISPVLRSA-N
Mol Weight 654.8 g/mol
Molecular Formula C40H46O8
Exact Mass 654.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JX0Fuxfixsk
Name 1,4,5,6-TETRA-O-BENZYL-2,3-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-D-CHIRO-INOSITOL
Compound Number 27D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O8
InChI InChI=1S/C40H46O8/c1-39(41-3)40(2,42-4)48-38-36(46-28-32-23-15-8-16-24-32)34(44-26-30-19-11-6-12-20-30)33(43-25-29-17-9-5-10-18-29)35(37(38)47-39)45-27-31-21-13-7-14-22-31/h5-24,33-38H,25-28H2,1-4H3/t33-,34-,35+,36+,37+,38+,39?,40?/m1/s1
InChIKey IOZKMWOOJHOQDA-HNISPVLRSA-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 654.800 g/mol
Sample ID 44633
Solvent CDCl3