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acetic acid [(2R,3S,4S,5R,6R)-5-[[(2S)-2,4-diacetoxybutanoyl]amino]-2-(ethylthio)-3-methoxy-6-methyl-tetrahydropyran-4-yl] ester

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acetic acid [(2R,3S,4S,5R,6R)-5-[[(2S)-2,4-diacetoxybutanoyl]amino]-2-(ethylthio)-3-methoxy-6-methyl-tetrahydropyran-4-yl] ester
SpectraBase Compound ID 9vyBejcmumz
InChI InChI=1S/C19H31NO9S/c1-7-30-19-17(25-6)16(29-13(5)23)15(10(2)27-19)20-18(24)14(28-12(4)22)8-9-26-11(3)21/h10,14-17,19H,7-9H2,1-6H3,(H,20,24)/t10-,14+,15-,16+,17+,19-/m1/s1
InChIKey AYZICTPKGHGIIU-JNMROYTQSA-N
Mol Weight 449.52 g/mol
Molecular Formula C19H31NO9S
Exact Mass 449.171953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qZw29qyVGF
Name acetic acid [(2R,3S,4S,5R,6R)-5-[[(2S)-2,4-diacetoxybutanoyl]amino]-2-(ethylthio)-3-methoxy-6-methyl-tetrahydropyran-4-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H31NO9S
InChI InChI=1S/C19H31NO9S/c1-7-30-19-17(25-6)16(29-13(5)23)15(10(2)27-19)20-18(24)14(28-12(4)22)8-9-26-11(3)21/h10,14-17,19H,7-9H2,1-6H3,(H,20,24)/t10-,14+,15-,16+,17+,19-/m1/s1
InChIKey AYZICTPKGHGIIU-JNMROYTQSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 449.516 g/mol
Source File Reference MHKO18676