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O-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-N-BENZYLOXYCARBONYL-L-SERINE-BENZYLESTER
SpectraBase Compound ID 4tFAdj8Kqg3
InChI InChI=1S/C47H44N2O14/c1-31(50)63-49-39-41(62-44(53)36-25-15-6-16-26-36)40(61-43(52)35-23-13-5-14-24-35)38(30-57-42(51)34-21-11-4-12-22-34)60-46(39)58-29-37(45(54)56-27-32-17-7-2-8-18-32)48-47(55)59-28-33-19-9-3-10-20-33/h2-26,37-41,46,49H,27-30H2,1H3,(H,48,55)/t37?,38-,39-,40+,41-,46+/m0/s1
InChIKey MQQDCPBKVWQVJK-OCFNGTHJSA-N
Mol Weight 860.9 g/mol
Molecular Formula C47H44N2O14
Exact Mass 860.279254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAmqw1U6dyd
Name O-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-N-BENZYLOXYCARBONYL-L-SERINE-BENZYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H44N2O14
InChI InChI=1S/C47H44N2O14/c1-31(50)63-49-39-41(62-44(53)36-25-15-6-16-26-36)40(61-43(52)35-23-13-5-14-24-35)38(30-57-42(51)34-21-11-4-12-22-34)60-46(39)58-29-37(45(54)56-27-32-17-7-2-8-18-32)48-47(55)59-28-33-19-9-3-10-20-33/h2-26,37-41,46,49H,27-30H2,1H3,(H,48,55)/t37?,38-,39-,40+,41-,46+/m0/s1
InChIKey MQQDCPBKVWQVJK-OCFNGTHJSA-N
Literature Reference Author E.KAJI,Y.OSA,K.TAKAHASHI,S.ZEN
Literature Reference Citation CHEM.PHARM.BULL.,44,15(1996)
Literature Reference DOI 10.1248/cpb.44.15
Molecular Weight 860.871 g/mol
Solvent CDCl3
Source File Reference UWLU31649