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#30;METHYL-2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-2-ACETAMIDO-O-BENZYL-3-O-[(R)-1'-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYR
SpectraBase Compound ID Yi4h0tGTTO
InChI InChI=1S/C79H94N4O23/c1-47(84)80-63-71(94-41-56-32-20-11-21-33-56)67(59(43-91-38-53-26-14-8-15-27-53)100-77(63)105-69-60(44-92-39-54-28-16-9-17-29-54)99-76(90-7)65(82-49(3)86)73(69)97-51(5)88)104-79-66(83-50(4)87)74(98-52(6)89)70(61(101-79)45-93-40-55-30-18-10-19-31-55)106-78-64(81-48(2)85)72(95-42-57-34-22-12-23-35-57)68-62(102-78)46-96-75(103-68)58-36-24-13-25-37-58/h8-37,59-79H,38-46H2,1-7H3,(H,80,84)(H,81,85)(H,82,86)(H,83,87)/t59-,60-,61+,62-,63-,64-,65-,66+,67-,68-,69-,70+,71-,72-,73-,74+,75?,76-,77+,78+,79-/m1/s1
InChIKey DNZUNEHXEQKCFV-UNUDWKKLSA-N
Mol Weight 1467.6 g/mol
Molecular Formula C79H94N4O23
Exact Mass 1466.630885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI3GRxKyflX
Name #30;METHYL-2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-2-ACETAMIDO-O-BENZYL-3-O-[(R)-1'-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C79H94N4O23
InChI InChI=1S/C79H94N4O23/c1-47(84)80-63-71(94-41-56-32-20-11-21-33-56)67(59(43-91-38-53-26-14-8-15-27-53)100-77(63)105-69-60(44-92-39-54-28-16-9-17-29-54)99-76(90-7)65(82-49(3)86)73(69)97-51(5)88)104-79-66(83-50(4)87)74(98-52(6)89)70(61(101-79)45-93-40-55-30-18-10-19-31-55)106-78-64(81-48(2)85)72(95-42-57-34-22-12-23-35-57)68-62(102-78)46-96-75(103-68)58-36-24-13-25-37-58/h8-37,59-79H,38-46H2,1-7H3,(H,80,84)(H,81,85)(H,82,86)(H,83,87)/t59-,60-,61+,62-,63-,64-,65-,66+,67-,68-,69-,70+,71-,72-,73-,74+,75?,76-,77+,78+,79-/m1/s1
InChIKey DNZUNEHXEQKCFV-UNUDWKKLSA-N
Literature Reference Author D.HESEK,M.LEE,K.I.MORIO,S.MOBASHERY
Literature Reference Citation J.ORG.CHEM.,69,2137(2004)
Literature Reference DOI 10.1021/jo035583k
Molecular Weight 1467.628 g/mol
Solvent CD3CN:CDCl3=95:5
Source File Reference UWVN21962