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#27B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-S(-S-2-ACETYLAMINO-2-METHOXYCARBONYLETHYL)-4-THIO-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-
SpectraBase Compound ID 6hvnTFMj4Ja
InChI InChI=1S/C24H31F3N2O13S/c1-10(30)28-14(21(34)37-5)9-43-17-7-15(22(35)38-6)42-20(18(17)29-23(36)24(25,26)27)19(41-13(4)33)16(40-12(3)32)8-39-11(2)31/h7,14,16-20H,8-9H2,1-6H3,(H,28,30)(H,29,36)/t14-,16-,17+,18+,19+,20+/m0/s1
InChIKey IECSGAMLDFBBQF-ZABSUHAISA-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 AWpejGzglmn
Name #27B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-S(-S-2-ACETYLAMINO-2-METHOXYCARBONYLETHYL)-4-THIO-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31F3N2O13S
InChI InChI=1S/C24H31F3N2O13S/c1-10(30)28-14(21(34)37-5)9-43-17-7-15(22(35)38-6)42-20(18(17)29-23(36)24(25,26)27)19(41-13(4)33)16(40-12(3)32)8-39-11(2)31/h7,14,16-20H,8-9H2,1-6H3,(H,28,30)(H,29,36)/t14-,16-,17+,18+,19+,20+/m0/s1
InChIKey IECSGAMLDFBBQF-ZABSUHAISA-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 UWBT18445