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#B4;1,4-BIS-[3-[4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHY
SpectraBase Compound ID HJ0VD6FCb5l
InChI InChI=1S/C68H100N10O34/c1-33(79)69-53-61(103-43(11)89)59(111-67-55(71-35(3)81)63(105-45(13)91)57(101-41(9)87)49(109-67)29-95-37(5)83)51(31-97-39(7)85)107-65(53)99-27-47-25-77(75-73-47)19-17-23-93-21-15-16-22-94-24-18-20-78-26-48(74-76-78)28-100-66-54(70-34(2)80)62(104-44(12)90)60(52(108-66)32-98-40(8)86)112-68-56(72-36(4)82)64(106-46(14)92)58(102-42(10)88)50(110-68)30-96-38(6)84/h25-26,49-68H,15-24,27-32H2,1-14H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+/m1/s1
InChIKey KTOLGDYGMUSBNO-VNCZUDRVSA-N
Mol Weight 1601.6 g/mol
Molecular Formula C68H100N10O34
Exact Mass 1600.64034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILhTo3HrCbV
Name #B4;1,4-BIS-[3-[4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H100N10O34
InChI InChI=1S/C68H100N10O34/c1-33(79)69-53-61(103-43(11)89)59(111-67-55(71-35(3)81)63(105-45(13)91)57(101-41(9)87)49(109-67)29-95-37(5)83)51(31-97-39(7)85)107-65(53)99-27-47-25-77(75-73-47)19-17-23-93-21-15-16-22-94-24-18-20-78-26-48(74-76-78)28-100-66-54(70-34(2)80)62(104-44(12)90)60(52(108-66)32-98-40(8)86)112-68-56(72-36(4)82)64(106-46(14)92)58(102-42(10)88)50(110-68)30-96-38(6)84/h25-26,49-68H,15-24,27-32H2,1-14H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+/m1/s1
InChIKey KTOLGDYGMUSBNO-VNCZUDRVSA-N
Literature Reference Author H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,819(2012)
Literature Reference DOI 10.3762/bjoc.8.91
Molecular Weight 1601.589 g/mol
Solvent CDCl3
Source File Reference UWIR10904