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METHYL_(PENTAFLUOROBENZYL_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_(PENTAFLUOROBENZYL_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 xjyAvOmb8r
InChI InChI=1S/C32H32ClF5N2O12/c1-13(41)40-27-20(49-14(2)42)10-32(31(46)47-5,48-12-19-22(34)24(36)26(38)25(37)23(19)35)52-29(27)28(51-16(4)44)21(50-15(3)43)11-39-30(45)17-6-8-18(33)9-7-17/h6-9,20-21,27-29H,10-12H2,1-5H3,(H,39,45)(H,40,41)/t20-,21+,27+,28-,29+,32+/m0/s1
InChIKey QGGXSXNLTKBVBB-QJAZABNASA-N
Mol Weight 767.1 g/mol
Molecular Formula C32H32ClF5N2O12
Exact Mass 766.156393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbUHvx5GxtG
Name METHYL_(PENTAFLUOROBENZYL_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 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32ClF5N2O12
InChI InChI=1S/C32H32ClF5N2O12/c1-13(41)40-27-20(49-14(2)42)10-32(31(46)47-5,48-12-19-22(34)24(36)26(38)25(37)23(19)35)52-29(27)28(51-16(4)44)21(50-15(3)43)11-39-30(45)17-6-8-18(33)9-7-17/h6-9,20-21,27-29H,10-12H2,1-5H3,(H,39,45)(H,40,41)/t20-,21+,27+,28-,29+,32+/m0/s1
InChIKey QGGXSXNLTKBVBB-QJAZABNASA-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 767.057 g/mol
Solvent CDCl3
Source File Reference UWMZ46758