| SpectraBase Compound ID | EoltQSv5Qds |
|---|---|
| InChI | InChI=1S/2C48H53NO21/c2*1-26(50)49-37-34(63-28(3)52)23-48(47(58)60-7,70-40(37)38(65-30(5)54)35(64-29(4)53)24-61-27(2)51)62-25-36-39(67-43(55)31-17-11-8-12-18-31)41(68-44(56)32-19-13-9-14-20-32)42(46(59-6)66-36)69-45(57)33-21-15-10-16-22-33/h2*8-22,34-42,46H,23-25H2,1-7H3,(H,49,50)/t34-,35+,36+,37+,38+,39-,40+,41-,42+,46+,48+;34-,35+,36+,37+,38+,39-,40+,41-,42+,46+,48-/m00/s1 |
| InChIKey | ZNZVCPZCTYYFIE-SDXIFOSFSA-N |
| Mol Weight | 1959.9 g/mol |
| Molecular Formula | C96H106N2O42 |
| Exact Mass | 1958.622015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Embqg44zN4x |
|---|---|
| Name | METHYL-2,3,4,TRI-O-BENZOYL-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H106N2O42 |
| InChI | InChI=1S/2C48H53NO21/c2*1-26(50)49-37-34(63-28(3)52)23-48(47(58)60-7,70-40(37)38(65-30(5)54)35(64-29(4)53)24-61-27(2)51)62-25-36-39(67-43(55)31-17-11-8-12-18-31)41(68-44(56)32-19-13-9-14-20-32)42(46(59-6)66-36)69-45(57)33-21-15-10-16-22-33/h2*8-22,34-42,46H,23-25H2,1-7H3,(H,49,50)/t34-,35+,36+,37+,38+,39-,40+,41-,42+,46+,48+;34-,35+,36+,37+,38+,39-,40+,41-,42+,46+,48-/m00/s1 |
| InChIKey | ZNZVCPZCTYYFIE-SDXIFOSFSA-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 | 1959.886 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21716 |