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ALLYL-2-(2S)-HYDROXY-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPANOATE
SpectraBase Compound ID 9AvcGjM2lss
InChI InChI=1S/C21H30N2O13/c1-6-7-31-20(29)14(28)8-22-21(30)23-19-18(35-13(5)27)17(34-12(4)26)16(33-11(3)25)15(36-19)9-32-10(2)24/h6,14-19,28H,1,7-9H2,2-5H3,(H2,22,23,30)/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKey SZXPBTAHOPUWOW-WVXCVLBUSA-N
Mol Weight 518.47 g/mol
Molecular Formula C21H30N2O13
Exact Mass 518.174789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hlh00Lue1v1
Name ALLYL-2-(2S)-HYDROXY-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPANOATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N2O13
InChI InChI=1S/C21H30N2O13/c1-6-7-31-20(29)14(28)8-22-21(30)23-19-18(35-13(5)27)17(34-12(4)26)16(33-11(3)25)15(36-19)9-32-10(2)24/h6,14-19,28H,1,7-9H2,2-5H3,(H2,22,23,30)/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKey SZXPBTAHOPUWOW-WVXCVLBUSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Molecular Weight 518.475 g/mol
Solvent CDCl3
Source File Reference UWSI23610