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METHYL_(2-NAPHTHYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

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METHYL_(2-NAPHTHYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 3C7CSrF9HAg
InChI InChI=1S/C36H39ClN2O12/c1-20(40)39-31-29(48-21(2)41)17-36(35(45)46-5,47-19-24-10-11-25-8-6-7-9-27(25)16-24)51-33(31)32(50-23(4)43)30(49-22(3)42)18-38-34(44)26-12-14-28(37)15-13-26/h6-16,29-33H,17-19H2,1-5H3,(H,38,44)(H,39,40)/t29-,30+,31+,32-,33+,36+/m0/s1
InChIKey SOVQALBWSNZFND-JOALKZJLSA-N
Mol Weight 727.2 g/mol
Molecular Formula C36H39ClN2O12
Exact Mass 726.219152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW4CM8jmf2x
Name METHYL_(2-NAPHTHYL_5-ACETAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H39ClN2O12
InChI InChI=1S/C36H39ClN2O12/c1-20(40)39-31-29(48-21(2)41)17-36(35(45)46-5,47-19-24-10-11-25-8-6-7-9-27(25)16-24)51-33(31)32(50-23(4)43)30(49-22(3)42)18-38-34(44)26-12-14-28(37)15-13-26/h6-16,29-33H,17-19H2,1-5H3,(H,38,44)(H,39,40)/t29-,30+,31+,32-,33+,36+/m0/s1
InChIKey SOVQALBWSNZFND-JOALKZJLSA-N
Literature Reference Author S.MESCH,D.MOSER,D.S.STRASSER,A.KELM,B.CUTTING,G.ROSSATO,A.VE DANI,H.KOLIWER-BRAND
Literature Reference Citation J.MED.CHEM.,53,1597(2010)
Literature Reference DOI 10.1021/jm901517k
Molecular Weight 727.165 g/mol
Solvent CDCl3
Source File Reference UWMZ46759