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4-(4-NITROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-THIO)-PYRIDINE-3-CARBONITRILE

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4-(4-NITROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-THIO)-PYRIDINE-3-CARBONITRILE
SpectraBase Compound ID AU0kiOkXN2N
InChI InChI=1S/C36H35N3O11S/c1-19(40)46-18-31-32(47-20(2)41)33(48-21(3)42)34(49-22(4)43)36(50-31)51-35-29(17-37)28(24-11-13-27(14-12-24)39(44)45)16-30(38-35)26-10-9-23-7-5-6-8-25(23)15-26/h9-16,31-34,36H,5-8,18H2,1-4H3/t31-,32-,33+,34-,36+/m0/s1
InChIKey DJOWNXBKXOUTRT-VNOFEJHXSA-N
Mol Weight 717.7 g/mol
Molecular Formula C36H35N3O11S
Exact Mass 717.19923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fjo8vW9oJ9u
Name 4-(4-NITROPHENYL)-6-(1,2,3,4-TETRAHYDRONAPHTHALEN-6-YL)-2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-THIO)-PYRIDINE-3-CARBONITRILE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H35N3O11S
InChI InChI=1S/C36H35N3O11S/c1-19(40)46-18-31-32(47-20(2)41)33(48-21(3)42)34(49-22(4)43)36(50-31)51-35-29(17-37)28(24-11-13-27(14-12-24)39(44)45)16-30(38-35)26-10-9-23-7-5-6-8-25(23)15-26/h9-16,31-34,36H,5-8,18H2,1-4H3/t31-,32-,33+,34-,36+/m0/s1
InChIKey DJOWNXBKXOUTRT-VNOFEJHXSA-N
Literature Reference Author M.S.A.MUTAIRI,E.S.A.ABDULLAH,M.E.HAIBA,M.A.KHEDR,W.A.ZAGHARY
Literature Reference Citation MOLECULES,17,4717(2012)
Literature Reference DOI 10.3390/molecules17044717
Molecular Weight 717.747 g/mol
Sample ID 1759
Solvent DMSO-D6