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METHYL_(METHYL_5-CYCLOBUTYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO

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METHYL_(METHYL_5-CYCLOBUTYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID G7WrL3du6Kc
InChI InChI=1S/C29H37ClN2O11S/c1-15(33)40-21-13-29(44-5,28(38)39-4)43-25(23(21)32-27(37)18-7-6-8-18)24(42-17(3)35)22(41-16(2)34)14-31-26(36)19-9-11-20(30)12-10-19/h9-12,18,21-25H,6-8,13-14H2,1-5H3,(H,31,36)(H,32,37)/t21-,22+,23?,24-,25+,29-/m0/s1
InChIKey JLGGNQPUIYFXTL-MQCRNWLFSA-N
Mol Weight 657.1 g/mol
Molecular Formula C29H37ClN2O11S
Exact Mass 656.180659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkPfA1mxLFj
Name METHYL_(METHYL_5-CYCLOBUTYLAMIDO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 22G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37ClN2O11S
InChI InChI=1S/C29H37ClN2O11S/c1-15(33)40-21-13-29(44-5,28(38)39-4)43-25(23(21)32-27(37)18-7-6-8-18)24(42-17(3)35)22(41-16(2)34)14-31-26(36)19-9-11-20(30)12-10-19/h9-12,18,21-25H,6-8,13-14H2,1-5H3,(H,31,36)(H,32,37)/t21-,22+,23?,24-,25+,29-/m0/s1
InChIKey JLGGNQPUIYFXTL-MQCRNWLFSA-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 657.133 g/mol
Solvent CDCl3
Source File Reference UWMZ46792