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2,3,4,5,6-PENTA-O-ACETYL-1-O-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,4-DINITROPHENYLAMINO)-ALPHA-D-GLUCOPYRANOSYL)-D-MYO-INOSITOL

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2,3,4,5,6-PENTA-O-ACETYL-1-O-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,4-DINITROPHENYLAMINO)-ALPHA-D-GLUCOPYRANOSYL)-D-MYO-INOSITOL
SpectraBase Compound ID EsVSvWwiBkJ
InChI InChI=1S/C34H41N3O22/c1-13(38)50-12-24-26(51-14(2)39)27(52-15(3)40)25(35-22-10-9-21(36(46)47)11-23(22)37(48)49)34(58-24)59-33-31(56-19(7)44)29(54-17(5)42)28(53-16(4)41)30(55-18(6)43)32(33)57-20(8)45/h9-11,24-35H,12H2,1-8H3/t24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-/m1/s1
InChIKey HTQJJVCOSBQQPO-IMBQEDJJSA-N
Mol Weight 843.7 g/mol
Molecular Formula C34H41N3O22
Exact Mass 843.21817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ET7SWSB5w4L
Name 2,3,4,5,6-PENTA-O-ACETYL-1-O-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,4-DINITROPHENYLAMINO)-ALPHA-D-GLUCOPYRANOSYL)-D-MYO-INOSITOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H41N3O22
InChI InChI=1S/C34H41N3O22/c1-13(38)50-12-24-26(51-14(2)39)27(52-15(3)40)25(35-22-10-9-21(36(46)47)11-23(22)37(48)49)34(58-24)59-33-31(56-19(7)44)29(54-17(5)42)28(53-16(4)41)30(55-18(6)43)32(33)57-20(8)45/h9-11,24-35H,12H2,1-8H3/t24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-/m1/s1
InChIKey HTQJJVCOSBQQPO-IMBQEDJJSA-N
Literature Reference Author M.A.JARDINE,H.S.C.SPIES,C.M.NKAMBULE,D.W.GAMMON,D.J.STEENKAM P
Literature Reference Citation BIOORG.MED.CHEM.,10,875(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00383-2
Molecular Weight 843.706 g/mol
Solvent CDCl3
Source File Reference UWLU30977