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#10B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,4,5-TRIDEOXY-4-[[(4-METHYLPHENYL)-SULFONYL]-AMINO]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-NON-2-ENOAT

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#10B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,4,5-TRIDEOXY-4-[[(4-METHYLPHENYL)-SULFONYL]-AMINO]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-NON-2-ENOAT
SpectraBase Compound ID JKJHfwwEybe
InChI InChI=1S/C25H29F3N2O12S/c1-12-6-8-16(9-7-12)43(36,37)30-17-10-18(23(34)38-5)42-22(20(17)29-24(35)25(26,27)28)21(41-15(4)33)19(40-14(3)32)11-39-13(2)31/h6-10,17,19-22,30H,11H2,1-5H3,(H,29,35)/t17-,19+,20-,21-,22-/m1/s1
InChIKey AMEQHIQSASVVEK-SGCGGLILSA-N
Mol Weight 638.56 g/mol
Molecular Formula C25H29F3N2O12S
Exact Mass 638.13933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESVFj1f8Dty
Name #10B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,4,5-TRIDEOXY-4-[[(4-METHYLPHENYL)-SULFONYL]-AMINO]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-NON-2-ENOAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29F3N2O12S
InChI InChI=1S/C25H29F3N2O12S/c1-12-6-8-16(9-7-12)43(36,37)30-17-10-18(23(34)38-5)42-22(20(17)29-24(35)25(26,27)28)21(41-15(4)33)19(40-14(3)32)11-39-13(2)31/h6-10,17,19-22,30H,11H2,1-5H3,(H,29,35)/t17-,19+,20-,21-,22-/m1/s1
InChIKey AMEQHIQSASVVEK-SGCGGLILSA-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 638.567 g/mol
Solvent CDCl3
Source File Reference UWBT18423