| SpectraBase Compound ID | C2glAEwztNY |
|---|---|
| InChI | InChI=1S/C45H48Cl3NO16/c1-22-29(59-23(2)50)20-43(41(6,7)65-40(57)49-39(56)45(46,47)48)32(22)33(61-25(4)52)35(62-37(54)27-15-11-9-12-16-27)42(8)30(60-24(3)51)19-31-44(21-58-31,64-26(5)53)34(42)36(43)63-38(55)28-17-13-10-14-18-28/h9-18,29-31,33-36H,19-21H2,1-8H3,(H,49,56,57)/t29-,30-,31+,33+,34-,35-,36-,42+,43-,44-/m0/s1 |
| InChIKey | SZLQNLOOYVBHKE-ZVTPPZQTSA-N |
| Mol Weight | 965.2 g/mol |
| Molecular Formula | C45H48Cl3NO16 |
| Exact Mass | 963.203868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZLJUXReZ40 |
|---|---|
| Name | SZLQNLOOYVBHKE-ZVTPPZQTSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H48Cl3NO16 |
| InChI | InChI=1S/C45H48Cl3NO16/c1-22-29(59-23(2)50)20-43(41(6,7)65-40(57)49-39(56)45(46,47)48)32(22)33(61-25(4)52)35(62-37(54)27-15-11-9-12-16-27)42(8)30(60-24(3)51)19-31-44(21-58-31,64-26(5)53)34(42)36(43)63-38(55)28-17-13-10-14-18-28/h9-18,29-31,33-36H,19-21H2,1-8H3,(H,49,56,57)/t29-,30-,31+,33+,34-,35-,36-,42+,43-,44-/m0/s1 |
| InChIKey | SZLQNLOOYVBHKE-ZVTPPZQTSA-N |
| Literature Reference Author | L.BARBONI,P.GARIBOLDI,E.TORREGIANI,G.APPENDINO,G.CRAVOTTO,E. BOMBARDELLI,B.GABETT |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3233(1994) |
| Literature Reference DOI | 10.1039/p19940003233 |
| Molecular Weight | 965.232 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU4347 |