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1-O-ACETYL-3,6-DI-O-BENZYL-D-MYO-INOSITOL

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1-O-ACETYL-3,6-DI-O-BENZYL-D-MYO-INOSITOL
SpectraBase Compound ID 9oMvZ9PNeGb
InChI InChI=1S/C22H26O7/c1-14(23)29-22-19(26)20(27-12-15-8-4-2-5-9-15)17(24)18(25)21(22)28-13-16-10-6-3-7-11-16/h2-11,17-22,24-26H,12-13H2,1H3/t17-,18-,19+,20+,21+,22+/m0/s1
InChIKey JBZBKJZDYZSCIT-IUVRRTPNSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWSnh3Y9DjL
Name 1-O-ACETYL-3,6-DI-O-BENZYL-D-MYO-INOSITOL
Compound Number ( -)-43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-14(23)29-22-19(26)20(27-12-15-8-4-2-5-9-15)17(24)18(25)21(22)28-13-16-10-6-3-7-11-16/h2-11,17-22,24-26H,12-13H2,1H3/t17-,18-,19+,20+,21+,22+/m0/s1
InChIKey JBZBKJZDYZSCIT-IUVRRTPNSA-N
Literature Reference Author M.A.L.PODESCHWA,O.PLETTENBURG,H.J.ALTENBACH
Literature Reference Citation EUR.J.ORG.CHEM.,3101(2005)
Molecular Weight 402.444 g/mol
Sample ID 29999
Solvent CDCl3