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#3I;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(NAPHTHALEN-2-YL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE

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#3I;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(NAPHTHALEN-2-YL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE
SpectraBase Compound ID 9prd9EyZxIH
InChI InChI=1S/C26H28N4O9S/c1-13(31)35-12-20-21(36-14(2)32)22(37-15(3)33)23(38-16(4)34)25(39-20)30-26(40)29(27)24(28-30)19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-23,25H,12,27H2,1-4H3/t20-,21-,22+,23-,25-/m0/s1
InChIKey BLYANOFIFFGMJD-NKGRKIGWSA-N
Mol Weight 572.59 g/mol
Molecular Formula C26H28N4O9S
Exact Mass 572.1577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UqtmHdRmTf
Name #3I;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-3-(NAPHTHALEN-2-YL)-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N4O9S
InChI InChI=1S/C26H28N4O9S/c1-13(31)35-12-20-21(36-14(2)32)22(37-15(3)33)23(38-16(4)34)25(39-20)30-26(40)29(27)24(28-30)19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-23,25H,12,27H2,1-4H3/t20-,21-,22+,23-,25-/m0/s1
InChIKey BLYANOFIFFGMJD-NKGRKIGWSA-N
Literature Reference Author H.NADEEM,Z.ASHRAF
Literature Reference Citation EUR.J.CHEM.,3,485(2012)
Literature Reference DOI 10.5155/eurjchem.3.4.485-492.655
Molecular Weight 572.590 g/mol
Solvent DMSO-D6
Source File Reference UWIR17901