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8-METHOXYCARBONYLOCTYL-5-N-ACETYL-ALPHA-NEURAMINYL-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-2-DEOXY-2-(METHYL-BETA-D-GLUCOPYRANOSYLURONAMIDE)-BETA-D-
SpectraBase Compound ID 4zZt0wwhp41
InChI InChI=1S/C40H68N2O26/c1-16(46)41-22-17(47)12-40(39(58)59,67-32(22)24(50)18(48)13-43)68-33-26(52)20(15-45)64-38(30(33)56)65-31-23(42-35(57)34-28(54)27(53)29(55)37(61-3)66-34)36(63-19(14-44)25(31)51)62-11-9-7-5-4-6-8-10-21(49)60-2/h17-20,22-34,36-38,43-45,47-48,50-56H,4-15H2,1-3H3,(H,41,46)(H,42,57)(H,58,59)/t17-,18+,19-,20-,22+,23-,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,36-,37+,38+,40-/m0/s1
InChIKey NBMBZAQNURMDJB-RPINFDRCSA-N
Mol Weight 993.0 g/mol
Molecular Formula C40H68N2O26
Exact Mass 992.40603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcCTRZyujar
Name 8-METHOXYCARBONYLOCTYL-5-N-ACETYL-ALPHA-NEURAMINYL-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-2-DEOXY-2-(METHYL-BETA-D-GLUCOPYRANOSYLURONAMIDE)-BETA-D-
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H68N2O26
InChI InChI=1S/C40H68N2O26/c1-16(46)41-22-17(47)12-40(39(58)59,67-32(22)24(50)18(48)13-43)68-33-26(52)20(15-45)64-38(30(33)56)65-31-23(42-35(57)34-28(54)27(53)29(55)37(61-3)66-34)36(63-19(14-44)25(31)51)62-11-9-7-5-4-6-8-10-21(49)60-2/h17-20,22-34,36-38,43-45,47-48,50-56H,4-15H2,1-3H3,(H,41,46)(H,42,57)(H,58,59)/t17-,18+,19-,20-,22+,23-,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,36-,37+,38+,40-/m0/s1
InChIKey NBMBZAQNURMDJB-RPINFDRCSA-N
Literature Reference Author G.BAISCH,R.OEHRLEIN
Literature Reference Citation CARBOHYDR.RES.,312,61(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00229-8
Molecular Weight 992.978 g/mol
Solvent CD3OD
Source File Reference UWPA615