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

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#3E;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-5-THIOXO-3-(3,4,5-TRIMETHOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETAT
SpectraBase Compound ID 798J4lnxim9
InChI InChI=1S/C25H32N4O12S/c1-11(30)37-10-18-20(38-12(2)31)21(39-13(3)32)22(40-14(4)33)24(41-18)29-25(42)28(26)23(27-29)15-8-16(34-5)19(36-7)17(9-15)35-6/h8-9,18,20-22,24H,10,26H2,1-7H3/t18-,20-,21+,22-,24-/m0/s1
InChIKey RBBWMEWIKJPIFL-AXMVRHARSA-N
Mol Weight 612.6 g/mol
Molecular Formula C25H32N4O12S
Exact Mass 612.173744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvRfZZyag6j
Name #3E;(2R,3R,4S,5R)-2-(ACETOXYMETHYL)-6-[4-AMINO-5-THIOXO-3-(3,4,5-TRIMETHOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]-TETRAHYDRO-2H-PYRAN-3,4,5-TRIYL-TRIACETAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N4O12S
InChI InChI=1S/C25H32N4O12S/c1-11(30)37-10-18-20(38-12(2)31)21(39-13(3)32)22(40-14(4)33)24(41-18)29-25(42)28(26)23(27-29)15-8-16(34-5)19(36-7)17(9-15)35-6/h8-9,18,20-22,24H,10,26H2,1-7H3/t18-,20-,21+,22-,24-/m0/s1
InChIKey RBBWMEWIKJPIFL-AXMVRHARSA-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 612.609 g/mol
Solvent DMSO-D6
Source File Reference UWIR17897