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N-TRICHLOROETHOXYCARBONYL-3-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-SERYL-(N'-BENZYLOXYCARBONYLAMINOETHYL)-AMIDE
SpectraBase Compound ID La6RBo1IG7p
InChI InChI=1S/C30H39Cl3N4O14/c1-16(38)36-23-25(50-19(4)41)24(49-18(3)40)22(14-45-17(2)39)51-27(23)46-13-21(37-29(44)48-15-30(31,32)33)26(42)34-10-11-35-28(43)47-12-20-8-6-5-7-9-20/h5-9,21-25,27H,10-15H2,1-4H3,(H,34,42)(H,35,43)(H,36,38)(H,37,44)/t21-,22-,23-,24+,25-,27+/m1/s1
InChIKey NRBOUDOQCIVYLI-CINZANCNSA-N
Mol Weight 786.0 g/mol
Molecular Formula C30H39Cl3N4O14
Exact Mass 784.152835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aw6H5b9WYJL
Name N-TRICHLOROETHOXYCARBONYL-3-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-SERYL-(N'-BENZYLOXYCARBONYLAMINOETHYL)-AMIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39Cl3N4O14
InChI InChI=1S/C30H39Cl3N4O14/c1-16(38)36-23-25(50-19(4)41)24(49-18(3)40)22(14-45-17(2)39)51-27(23)46-13-21(37-29(44)48-15-30(31,32)33)26(42)34-10-11-35-28(43)47-12-20-8-6-5-7-9-20/h5-9,21-25,27H,10-15H2,1-4H3,(H,34,42)(H,35,43)(H,36,38)(H,37,44)/t21-,22-,23-,24+,25-,27+/m1/s1
InChIKey NRBOUDOQCIVYLI-CINZANCNSA-N
Literature Reference Author K.MIYAJIMA,T.NEKADO,K.IKEDA,K.ACHIWA
Literature Reference Citation CHEM.PHARM.BULL.,46,1676(1998)
Literature Reference DOI 10.1248/cpb.46.1676
Molecular Weight 786.017 g/mol
Solvent CDCl3
Source File Reference UWMS20769