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3-(N-ACETYL-N-BENZYLAMINO)-2,5,6,7-TETRA-O-BENZYL-3-DEOXY-D-GLYCERO-D-GALACTO-HEPTITOL,MAJOR-ISOMER
SpectraBase Compound ID 58C0aipa5BD
InChI InChI=1S/C44H49NO7/c1-34(47)45(27-35-17-7-2-8-18-35)42(40(28-46)50-30-37-21-11-4-12-22-37)43(48)44(52-32-39-25-15-6-16-26-39)41(51-31-38-23-13-5-14-24-38)33-49-29-36-19-9-3-10-20-36/h2-26,40-44,46,48H,27-33H2,1H3/t40-,41-,42-,43+,44+/m0/s1
InChIKey MFCCRVAGCBCCEH-LVINFGBXSA-N
Mol Weight 703.9 g/mol
Molecular Formula C44H49NO7
Exact Mass 703.350903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKCPQsQiXi6
Name 3-(N-ACETYL-N-BENZYLAMINO)-2,5,6,7-TETRA-O-BENZYL-3-DEOXY-D-GLYCERO-D-GALACTO-HEPTITOL,MAJOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H49NO7
InChI InChI=1S/C44H49NO7/c1-34(47)45(27-35-17-7-2-8-18-35)42(40(28-46)50-30-37-21-11-4-12-22-37)43(48)44(52-32-39-25-15-6-16-26-39)41(51-31-38-23-13-5-14-24-38)33-49-29-36-19-9-3-10-20-36/h2-26,40-44,46,48H,27-33H2,1H3/t40-,41-,42-,43+,44+/m0/s1
InChIKey MFCCRVAGCBCCEH-LVINFGBXSA-N
Literature Reference Author L.CZOLLNER,J.KUSZMANN,A.VASELLA
Literature Reference Citation HELV.CHIM.ACTA,73,1338(1990)
Literature Reference DOI 10.1002/hlca.19900730522
Molecular Weight 703.876 g/mol
Solvent CDCl3
Source File Reference UWCS2609