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(METHYL-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSID-6-YL)-2-CYANOETHYL-1-O-(2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)
SpectraBase Compound ID 81baOfgjpnF
InChI InChI=1S/C73H83N2O18P/c1-52(76)75-64-68(78-2)67-62(49-86-71(93-67)59-38-23-10-24-39-59)91-72(64)87-48-60(80-42-53-26-11-4-12-27-53)65(82-44-55-30-15-6-16-31-55)61(81-43-54-28-13-5-14-29-54)50-89-94(77,88-41-25-40-74)90-51-63-66(83-45-56-32-17-7-18-33-56)69(84-46-57-34-19-8-20-35-57)70(73(79-3)92-63)85-47-58-36-21-9-22-37-58/h4-24,26-39,60-73H,25,41-51H2,1-3H3,(H,75,76)/t60?,61?,62-,63+,64-,65?,66+,67+,68-,69-,70+,71+,72-,73+,94?/m0/s1
InChIKey TXXXLOFVVIFBSU-KWEZYKJESA-N
Mol Weight 1307.4 g/mol
Molecular Formula C73H83N2O18P
Exact Mass 1306.537851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zaBA9yZxod
Name (METHYL-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSID-6-YL)-2-CYANOETHYL-1-O-(2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H83N2O18P
InChI InChI=1S/C73H83N2O18P/c1-52(76)75-64-68(78-2)67-62(49-86-71(93-67)59-38-23-10-24-39-59)91-72(64)87-48-60(80-42-53-26-11-4-12-27-53)65(82-44-55-30-15-6-16-31-55)61(81-43-54-28-13-5-14-29-54)50-89-94(77,88-41-25-40-74)90-51-63-66(83-45-56-32-17-7-18-33-56)69(84-46-57-34-19-8-20-35-57)70(73(79-3)92-63)85-47-58-36-21-9-22-37-58/h4-24,26-39,60-73H,25,41-51H2,1-3H3,(H,75,76)/t60?,61?,62-,63+,64-,65?,66+,67+,68-,69-,70+,71+,72-,73+,94?/m0/s1
InChIKey TXXXLOFVVIFBSU-KWEZYKJESA-N
Literature Reference Author H.QIN,T.B.GRINDLEY
Literature Reference Citation CAN.J.CHEM.,77,481(1999)
Literature Reference DOI 10.1139/cjc-77-4-481
Molecular Weight 1307.438 g/mol
Solvent CDCl3
Source File Reference UWSI5108