| SpectraBase Compound ID | 7qTZhgFVIXL |
|---|---|
| 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-KNNCYFOZSA-N |
| Mol Weight | 993.0 g/mol |
| Molecular Formula | C40H68N2O26 |
| Exact Mass | 992.40603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XPKdV90zJj |
|---|---|
| Name | 8-METHOXYCARBONYLOCTYL-5-N-ACETYL-ALPHA-NEURAMINYL-(2->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-2-DEOXY-2-(METHYL-ALPHA-L-GALACTOPYRANOSYLURONAMIDE)-BETA |
| Compound Number | 9E |
| 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-KNNCYFOZSA-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 | UWPA619 |