| SpectraBase Compound ID | DQriU5EpkOk |
|---|---|
| InChI | InChI=1S/2C40H62N2O20/c2*1-11-12-13-14-15-16-17-31(50)42-33-36(60-27(8)49)34(58-25(6)47)30(61-38(33)52-9)20-55-40(39(51)53-10)18-28(56-23(4)45)32(41-21(2)43)37(62-40)35(59-26(7)48)29(57-24(5)46)19-54-22(3)44/h2*28-30,32-38H,11-20H2,1-10H3,(H,41,43)(H,42,50)/t28-,29+,30+,32+,33+,34+,35+,36+,37+,38+,40+;28-,29+,30+,32+,33+,34+,35+,36+,37+,38+,40-/m00/s1 |
| InChIKey | AKRVRYPLOFUWNP-SOUJAFFLSA-N |
| Mol Weight | 1781.9 g/mol |
| Molecular Formula | C80H124N4O40 |
| Exact Mass | 1780.779185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jaHTkNdh9P |
|---|---|
| Name | METHYL-2-OCTANOYLAMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H124N4O40 |
| InChI | InChI=1S/2C40H62N2O20/c2*1-11-12-13-14-15-16-17-31(50)42-33-36(60-27(8)49)34(58-25(6)47)30(61-38(33)52-9)20-55-40(39(51)53-10)18-28(56-23(4)45)32(41-21(2)43)37(62-40)35(59-26(7)48)29(57-24(5)46)19-54-22(3)44/h2*28-30,32-38H,11-20H2,1-10H3,(H,41,43)(H,42,50)/t28-,29+,30+,32+,33+,34+,35+,36+,37+,38+,40+;28-,29+,30+,32+,33+,34+,35+,36+,37+,38+,40-/m00/s1 |
| InChIKey | AKRVRYPLOFUWNP-SOUJAFFLSA-N |
| Literature Reference Author | L.A.J.M.SLIEDREGT,S.M.W.V.ROSSENBERG,R.AUTAR,A.R.P.M.VALENTI JN,G.A.V.D.MAREL, |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,85(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00224-8 |
| Molecular Weight | 1781.867 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21711 |