| SpectraBase Compound ID | Ili4vOZIDD0 |
|---|---|
| InChI | InChI=1S/C54H76O6/c1-37(2)16-15-17-38(3)45-26-27-46-44-25-24-42-32-43(28-30-53(42,4)47(44)29-31-54(45,46)5)59-52-49(55)51(58-35-41-22-13-8-14-23-41)50(57-34-40-20-11-7-12-21-40)48(60-52)36-56-33-39-18-9-6-10-19-39/h6-14,18-23,37-38,42-52,55H,15-17,24-36H2,1-5H3/t38-,42?,43+,44?,45-,46?,47?,48-,49+,50-,51-,52-,53+,54-/m1/s1 |
| InChIKey | XXIPJEZWVSCCPN-XOEKORSKSA-N |
| Mol Weight | 821.2 g/mol |
| Molecular Formula | C54H76O6 |
| Exact Mass | 820.56419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YFSIs7POw0 |
|---|---|
| Name | CHOLESTAN-3'-BETA-YL-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 13H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H76O6 |
| InChI | InChI=1S/C54H76O6/c1-37(2)16-15-17-38(3)45-26-27-46-44-25-24-42-32-43(28-30-53(42,4)47(44)29-31-54(45,46)5)59-52-49(55)51(58-35-41-22-13-8-14-23-41)50(57-34-40-20-11-7-12-21-40)48(60-52)36-56-33-39-18-9-6-10-19-39/h6-14,18-23,37-38,42-52,55H,15-17,24-36H2,1-5H3/t38-,42?,43+,44?,45-,46?,47?,48-,49+,50-,51-,52-,53+,54-/m1/s1 |
| InChIKey | XXIPJEZWVSCCPN-XOEKORSKSA-N |
| Literature Reference Author | I.CUMPSTEY,A.J.FAIRBANKS,A.J.REDGRAVE |
| Literature Reference Citation | MH.CHEM.,133,449(2002) |
| Literature Reference DOI | 10.1007/s007060200020 |
| Molecular Weight | 821.194 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP11528 |