![#3;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZAMIDE](/api/spectrum/2sCxWu1qrqN/structure.png?h=300&w=458 "#3;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZAMIDE")
| SpectraBase Compound ID | HnUeqvEo81W |
|---|---|
| InChI | InChI=1S/C70H110N4O21/c75-47-61-62(76)63(77)64(78)67(95-61)74-46-58(72-73-74)45-71-66(79)57-34-59(89-19-13-83-7-1-80-4-10-86-16-22-92-68-36-48-25-49(37-68)27-50(26-48)38-68)65(91-21-15-85-9-3-82-6-12-88-18-24-94-70-42-54-31-55(43-70)33-56(32-54)44-70)60(35-57)90-20-14-84-8-2-81-5-11-87-17-23-93-69-39-51-28-52(40-69)30-53(29-51)41-69/h34-35,46,48-56,61-64,67,75-78H,1-33,36-45,47H2,(H,71,79)/t48-,49+,50-,51-,52+,53-,54-,55+,56-,61-,62-,63+,64+,67+,68-,69-,70-/m1/s1 |
| InChIKey | RWHVOJCCQDJARU-GPAJWUBISA-N |
| Mol Weight | 1343.7 g/mol |
| Molecular Formula | C70H110N4O21 |
| Exact Mass | 1342.766257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2sCxWu1qrqN |
|---|---|
| Name | #3;N-[[1-(ALPHA-D-MANNOPYRANOSYL)-1H-1,2,3-TRIAZOL-4-YL]-METHYL-3,4,5-TRIS-[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 | C70H110N4O21 |
| InChI | InChI=1S/C70H110N4O21/c75-47-61-62(76)63(77)64(78)67(95-61)74-46-58(72-73-74)45-71-66(79)57-34-59(89-19-13-83-7-1-80-4-10-86-16-22-92-68-36-48-25-49(37-68)27-50(26-48)38-68)65(91-21-15-85-9-3-82-6-12-88-18-24-94-70-42-54-31-55(43-70)33-56(32-54)44-70)60(35-57)90-20-14-84-8-2-81-5-11-87-17-23-93-69-39-51-28-52(40-69)30-53(29-51)41-69/h34-35,46,48-56,61-64,67,75-78H,1-33,36-45,47H2,(H,71,79)/t48-,49+,50-,51-,52+,53-,54-,55+,56-,61-,62-,63+,64+,67+,68-,69-,70-/m1/s1 |
| InChIKey | RWHVOJCCQDJARU-GPAJWUBISA-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 | 1343.658 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11236 |