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N-[([3-O-(B-D-Galactopyranosyl)-A-D-galactopyranosyl]oxy)-carbonyl]-L-serine derivative
SpectraBase Compound ID Deooz00wWlv
InChI InChI=1S/C56H62N4O22/c1-31(61)71-29-42-46(75-32(2)62)48(76-33(3)63)49(77-34(4)64)54(79-42)81-47-44(59-60-57)53(78-43(30-73-50(65)36-20-14-10-15-21-36)45(47)80-51(66)37-22-16-11-17-23-37)82-55(68)58-41(52(67)72-27-35-18-12-9-13-19-35)28-74-56(5,6)38-24-39(69-7)26-40(25-38)70-8/h9-26,41-49,53-54H,27-30H2,1-8H3,(H,58,68)
InChIKey ASPLKBPNTFJDAO-UHFFFAOYSA-N
Mol Weight 1143.1 g/mol
Molecular Formula C56H62N4O22
Exact Mass 1142.38557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GL1WvCcn9Tu
Name N-[([3-O-(B-D-Galactopyranosyl)-A-D-galactopyranosyl]oxy)-carbonyl]-L-serine derivative
CAS Registry Number 100842-24-8
Comments WRONG STRUCTURE IN CHEM.ABSTR. (BZL INSTEAD OF BZ)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C56H62N4O22
InChI InChI=1S/C56H62N4O22/c1-31(61)71-29-42-46(75-32(2)62)48(76-33(3)63)49(77-34(4)64)54(79-42)81-47-44(59-60-57)53(78-43(30-73-50(65)36-20-14-10-15-21-36)45(47)80-51(66)37-22-16-11-17-23-37)82-55(68)58-41(52(67)72-27-35-18-12-9-13-19-35)28-74-56(5,6)38-24-39(69-7)26-40(25-38)70-8/h9-26,41-49,53-54H,27-30H2,1-8H3,(H,58,68)
InChIKey ASPLKBPNTFJDAO-UHFFFAOYSA-N
Instrument Name Bruker AM-300
Literature Reference H. Kessler, W. Bermel, C. Griesinger, Angew. Chem. 98, 352 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported