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1,2,3,4,5-PENTA-O-ACETYL-6-O-(4-NITROPHENYL)-SCYLLO-INOSITOL
SpectraBase Compound ID LR60zKRrUdi
InChI InChI=1S/C22H25NO13/c1-10(24)31-17-18(32-11(2)25)20(34-13(4)27)22(21(35-14(5)28)19(17)33-12(3)26)36-16-8-6-15(7-9-16)23(29)30/h6-9,17-22H,1-5H3/t17-,18-,19+,20+,21-,22-
InChIKey CMBSZGKJZGSIFL-RGHYKDJOSA-N
Mol Weight 511.44 g/mol
Molecular Formula C22H25NO13
Exact Mass 511.13259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDWKgeCvMM
Name 1,2,3,4,5-PENTA-O-ACETYL-6-O-(4-NITROPHENYL)-SCYLLO-INOSITOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO13
InChI InChI=1S/C22H25NO13/c1-10(24)31-17-18(32-11(2)25)20(34-13(4)27)22(21(35-14(5)28)19(17)33-12(3)26)36-16-8-6-15(7-9-16)23(29)30/h6-9,17-22H,1-5H3/t17-,18-,19+,20+,21-,22-
InChIKey CMBSZGKJZGSIFL-RGHYKDJOSA-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 511.439 g/mol
Sample ID 37701
Solvent DMSO-D6