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#23A;METHYL-2-(S-2-ACETYLAMINO-2-METHOXYCARBONYLETHYL)-7,8,9-TRI-O-ACETYL-3,4,5-TRIDEOXY-5-[(TRIFLUOROACETYL)-AMINO]-2-THIO-ALPHA-D-MANNO-NON-3-EN-2-ULO
SpectraBase Compound ID CGiRWNAXoMm
InChI InChI=1S/C24H31F3N2O13S/c1-11(30)28-16(20(34)37-5)10-43-23(22(36)38-6)8-7-15(29-21(35)24(25,26)27)18(42-23)19(41-14(4)33)17(40-13(3)32)9-39-12(2)31/h7-8,15-19H,9-10H2,1-6H3,(H,28,30)(H,29,35)/t15-,16?,17-,18-,19-,23+/m1/s1
InChIKey FWIXFPRSWYHSBK-HTFIDPMESA-N
Mol Weight 644.57 g/mol
Molecular Formula C24H31F3N2O13S
Exact Mass 644.149895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uhv6Qrf7Ln
Name #23A;METHYL-2-(S-2-ACETYLAMINO-2-METHOXYCARBONYLETHYL)-7,8,9-TRI-O-ACETYL-3,4,5-TRIDEOXY-5-[(TRIFLUOROACETYL)-AMINO]-2-THIO-ALPHA-D-MANNO-NON-3-EN-2-ULO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31F3N2O13S
InChI InChI=1S/C24H31F3N2O13S/c1-11(30)28-16(20(34)37-5)10-43-23(22(36)38-6)8-7-15(29-21(35)24(25,26)27)18(42-23)19(41-14(4)33)17(40-13(3)32)9-39-12(2)31/h7-8,15-19H,9-10H2,1-6H3,(H,28,30)(H,29,35)/t15-,16?,17-,18-,19-,23+/m1/s1
InChIKey FWIXFPRSWYHSBK-HTFIDPMESA-N
Literature Reference Author P.ALLEVI,P.ROTA,I.S.AGNOLIN,A.GREGORIO,M.ANASTASIA
Literature Reference Citation EUR.J.ORG.CHEM.,2013,4065(2013)
Literature Reference DOI 10.1002/ejoc.201300154
Molecular Weight 644.571 g/mol
Solvent CDCl3
Source File Reference UWBT18439