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N-[4-O-[METHYL-(2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-SERINE-METHYLESTER
SpectraBase Compound ID B1JDBEPNUWd
InChI InChI=1S/C25H30N2O17/c1-11(29)40-18-19(41-12(2)30)21(42-13(3)31)24(44-20(18)23(33)38-5)43-17-7-6-14(8-16(17)27(35)36)10-39-25(34)26-15(9-28)22(32)37-4/h6-8,15,18-21,24,28H,9-10H2,1-5H3,(H,26,34)/t15?,18-,19-,20-,21+,24+/m1/s1
InChIKey ZLSHZGOFLZJGRE-KMXXSCIUSA-N
Mol Weight 630.51 g/mol
Molecular Formula C25H30N2O17
Exact Mass 630.154447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNQmrpfqNos
Name N-[4-O-[METHYL-(2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-SERINE-METHYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30N2O17
InChI InChI=1S/C25H30N2O17/c1-11(29)40-18-19(41-12(2)30)21(42-13(3)31)24(44-20(18)23(33)38-5)43-17-7-6-14(8-16(17)27(35)36)10-39-25(34)26-15(9-28)22(32)37-4/h6-8,15,18-21,24,28H,9-10H2,1-5H3,(H,26,34)/t15?,18-,19-,20-,21+,24+/m1/s1
InChIKey ZLSHZGOFLZJGRE-KMXXSCIUSA-N
Literature Reference Author R.MADEC-LOUGERSTAY,J.C.FLORENT,C.MONNERET
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1369(1999)
Literature Reference DOI 10.1039/a808915i
Molecular Weight 630.516 g/mol
Solvent CDCl3
Source File Reference UWRU5668