![#2;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZAMIDE](/api/spectrum/8RySEe19maS/structure.png?h=300&w=458 "#2;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZAMIDE")
| SpectraBase Compound ID | 8O1ITvUPvaV |
|---|---|
| InChI | InChI=1S/C52H80N4O16/c57-34-45-46(58)47(59)48(60)50(72-45)56-33-42(54-55-56)32-53-49(61)41-23-43(68-13-9-64-5-1-62-3-7-66-11-15-70-51-26-35-17-36(27-51)19-37(18-35)28-51)25-44(24-41)69-14-10-65-6-2-63-4-8-67-12-16-71-52-29-38-20-39(30-52)22-40(21-38)31-52/h23-25,33,35-40,45-48,50,57-60H,1-22,26-32,34H2,(H,53,61)/t35-,36+,37-,38-,39+,40-,45-,46-,47+,48+,50+,51-,52-/m1/s1 |
| InChIKey | JHXXWRKRVIMRNG-KINVAEIESA-N |
| Mol Weight | 1017.2 g/mol |
| Molecular Formula | C52H80N4O16 |
| Exact Mass | 1016.556932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RySEe19maS |
|---|---|
| Name | #2;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZAMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H80N4O16 |
| InChI | InChI=1S/C52H80N4O16/c57-34-45-46(58)47(59)48(60)50(72-45)56-33-42(54-55-56)32-53-49(61)41-23-43(68-13-9-64-5-1-62-3-7-66-11-15-70-51-26-35-17-36(27-51)19-37(18-35)28-51)25-44(24-41)69-14-10-65-6-2-63-4-8-67-12-16-71-52-29-38-20-39(30-52)22-40(21-38)31-52/h23-25,33,35-40,45-48,50,57-60H,1-22,26-32,34H2,(H,53,61)/t35-,36+,37-,38-,39+,40-,45-,46-,47+,48+,50+,51-,52-/m1/s1 |
| InChIKey | JHXXWRKRVIMRNG-KINVAEIESA-N |
| Literature Reference Author | U.KAUSCHER,B.J.RAVOO |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1543(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.175 |
| Molecular Weight | 1017.224 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11237 |