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2,3,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL-1-METHANESULFONATE
SpectraBase Compound ID 4G0qBHnT6eD
InChI InChI=1S/C42H44O8S/c1-51(43,44)50-42-40(48-30-35-23-13-5-14-24-35)38(46-28-33-19-9-3-10-20-33)37(45-27-32-17-7-2-8-18-32)39(47-29-34-21-11-4-12-22-34)41(42)49-31-36-25-15-6-16-26-36/h2-26,37-42H,27-31H2,1H3/t37-,38-,39+,40+,41-,42+
InChIKey NYCKIDLSLHMGTB-KTKNPLNPSA-N
Mol Weight 708.9 g/mol
Molecular Formula C42H44O8S
Exact Mass 708.27569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0JztxRsczF
Name 2,3,4,5,6-PENTA-O-BENZYL-MYO-INOSITOL-1-METHANESULFONATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O8S
InChI InChI=1S/C42H44O8S/c1-51(43,44)50-42-40(48-30-35-23-13-5-14-24-35)38(46-28-33-19-9-3-10-20-33)37(45-27-32-17-7-2-8-18-32)39(47-29-34-21-11-4-12-22-34)41(42)49-31-36-25-15-6-16-26-36/h2-26,37-42H,27-31H2,1H3/t37-,38-,39+,40+,41-,42+
InChIKey NYCKIDLSLHMGTB-KTKNPLNPSA-N
Literature Reference Author C.J.J.ELLE,C.E.DREEF,D.M.BROUNTS,G.A.VANDERMAREL,J.H.VANBOOM
Literature Reference Citation REC.TR.CH.P.-B.,110,92(1991)
Literature Reference DOI 10.1002/recl.19911100307
Molecular Weight 708.867 g/mol
Solvent CDCl3
Source File Reference UWTS1640