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ETHYL-METHYL-7,8,9-TRI-O-ACETYL-3,4,5-TRIDEOXY-2-THIO-5-[(TRIFLUOROACETYL)-AMINO]-BETA-D-MANNO-NON-3-EN-2-ULOPYRASIDONATE
SpectraBase Compound ID Cz77XDX1xCZ
InChI InChI=1S/C20H26F3NO10S/c1-6-35-19(18(29)30-5)8-7-13(24-17(28)20(21,22)23)15(34-19)16(33-12(4)27)14(32-11(3)26)9-31-10(2)25/h7-8,13-16H,6,9H2,1-5H3,(H,24,28)/t13-,14+,15-,16-,19-/m1/s1
InChIKey MGWSNBRRDZWIPX-PPLBCVRQSA-N
Mol Weight 529.48 g/mol
Molecular Formula C20H26F3NO10S
Exact Mass 529.122952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdZcU73riKa
Name ETHYL-METHYL-7,8,9-TRI-O-ACETYL-3,4,5-TRIDEOXY-2-THIO-5-[(TRIFLUOROACETYL)-AMINO]-BETA-D-MANNO-NON-3-EN-2-ULOPYRASIDONATE
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26F3NO10S
InChI InChI=1S/C20H26F3NO10S/c1-6-35-19(18(29)30-5)8-7-13(24-17(28)20(21,22)23)15(34-19)16(33-12(4)27)14(32-11(3)26)9-31-10(2)25/h7-8,13-16H,6,9H2,1-5H3,(H,24,28)/t13-,14+,15-,16-,19-/m1/s1
InChIKey MGWSNBRRDZWIPX-PPLBCVRQSA-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 529.482 g/mol
Solvent CDCl3
Source File Reference UWBT18450