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3-O-BENZYL-1-O-(4-METHYLPHENYLSULFONYL)-SCYLLO-INOSITOL

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3-O-BENZYL-1-O-(4-METHYLPHENYLSULFONYL)-SCYLLO-INOSITOL
SpectraBase Compound ID DVNadAO7pZT
InChI InChI=1S/C20H24O8S/c1-12-7-9-14(10-8-12)29(25,26)28-20-17(23)15(21)16(22)19(18(20)24)27-11-13-5-3-2-4-6-13/h2-10,15-24H,11H2,1H3/t15-,16-,17+,18-,19+,20-/m0/s1
InChIKey AFKLVYSWKRIXOP-GXUNQHPWSA-N
Mol Weight 424.46 g/mol
Molecular Formula C20H24O8S
Exact Mass 424.119189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fvl8FcIy1Rr
Name 3-O-BENZYL-1-O-(4-METHYLPHENYLSULFONYL)-SCYLLO-INOSITOL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O8S
InChI InChI=1S/C20H24O8S/c1-12-7-9-14(10-8-12)29(25,26)28-20-17(23)15(21)16(22)19(18(20)24)27-11-13-5-3-2-4-6-13/h2-10,15-24H,11H2,1H3/t15-,16-,17+,18-,19+,20-/m0/s1
InChIKey AFKLVYSWKRIXOP-GXUNQHPWSA-N
Literature Reference Author A.SCAFFIDI,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,59,894(2006)
Literature Reference DOI 10.1071/CH06393
Molecular Weight 424.466 g/mol
Sample ID 37706
Solvent DMSO-D6