![#18;N-[[1-(2,3,4,6-TETRA-O-ACETYL-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]-ETHO](/api/spectrum/GxzTP1veU4K/structure.png?h=300&w=458 "#18;N-[[1-(2,3,4,6-TETRA-O-ACETYL-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]-ETHO")
| SpectraBase Compound ID | CtCe1ijKuM7 |
|---|---|
| InChI | InChI=1S/C78H118N4O25/c1-52(83)100-51-69-71(104-53(2)84)72(105-54(3)85)73(106-55(4)86)75(107-69)82-50-66(80-81-82)49-79-74(87)65-38-67(97-23-17-91-11-5-88-8-14-94-20-26-101-76-40-56-29-57(41-76)31-58(30-56)42-76)70(99-25-19-93-13-7-90-10-16-96-22-28-103-78-46-62-35-63(47-78)37-64(36-62)48-78)68(39-65)98-24-18-92-12-6-89-9-15-95-21-27-102-77-43-59-32-60(44-77)34-61(33-59)45-77/h38-39,50,56-64,69,71-73,75H,5-37,40-49,51H2,1-4H3,(H,79,87)/t56-,57+,58-,59-,60+,61-,62-,63+,64-,69-,71-,72+,73+,75+,76-,77-,78-/m1/s1 |
| InChIKey | AIEFQYTUOKVHIW-JKUQZSGRSA-N |
| Mol Weight | 1511.8 g/mol |
| Molecular Formula | C78H118N4O25 |
| Exact Mass | 1510.808515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxzTP1veU4K |
|---|---|
| Name | #18;N-[[1-(2,3,4,6-TETRA-O-ACETYL-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]-ETHO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H118N4O25 |
| InChI | InChI=1S/C78H118N4O25/c1-52(83)100-51-69-71(104-53(2)84)72(105-54(3)85)73(106-55(4)86)75(107-69)82-50-66(80-81-82)49-79-74(87)65-38-67(97-23-17-91-11-5-88-8-14-94-20-26-101-76-40-56-29-57(41-76)31-58(30-56)42-76)70(99-25-19-93-13-7-90-10-16-96-22-28-103-78-46-62-35-63(47-78)37-64(36-62)48-78)68(39-65)98-24-18-92-12-6-89-9-15-95-21-27-102-77-43-59-32-60(44-77)34-61(33-59)45-77/h38-39,50,56-64,69,71-73,75H,5-37,40-49,51H2,1-4H3,(H,79,87)/t56-,57+,58-,59-,60+,61-,62-,63+,64-,69-,71-,72+,73+,75+,76-,77-,78-/m1/s1 |
| InChIKey | AIEFQYTUOKVHIW-JKUQZSGRSA-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 | 1511.807 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11234 |