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

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METHYL_(METHYL_5-TERT.-BUTYLOXYCARBONYLAMINO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID KlF9m5tEEyM
InChI InChI=1S/C29H39ClN2O12S/c1-15(33)40-20-13-29(45-8,26(37)39-7)43-24(22(20)32-27(38)44-28(4,5)6)23(42-17(3)35)21(41-16(2)34)14-31-25(36)18-9-11-19(30)12-10-18/h9-12,20-24H,13-14H2,1-8H3,(H,31,36)(H,32,38)/t20-,21+,22+,23-,24+,29-/m0/s1
InChIKey DAURNPYQSNRLKT-KXPNCJLOSA-N
Mol Weight 675.1 g/mol
Molecular Formula C29H39ClN2O12S
Exact Mass 674.191224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgTy2oVSY61
Name METHYL_(METHYL_5-TERT.-BUTYLOXYCARBONYLAMINO-4,7,8-TRI-O-ACETYL-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39ClN2O12S
InChI InChI=1S/C29H39ClN2O12S/c1-15(33)40-20-13-29(45-8,26(37)39-7)43-24(22(20)32-27(38)44-28(4,5)6)23(42-17(3)35)21(41-16(2)34)14-31-25(36)18-9-11-19(30)12-10-18/h9-12,20-24H,13-14H2,1-8H3,(H,31,36)(H,32,38)/t20-,21+,22+,23-,24+,29-/m0/s1
InChIKey DAURNPYQSNRLKT-KXPNCJLOSA-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 675.148 g/mol
Solvent CD2Cl2
Source File Reference UWMZ46774