| SpectraBase Compound ID | I4LOCgnxGj7 |
|---|---|
| InChI | InChI=1S/C55H78O6/c1-38(2)17-16-18-39(3)45-25-26-46-44-28-30-53(4)33-43(27-32-55(53,6)47(44)29-31-54(45,46)5)60-52-49(56)51(59-36-42-23-14-9-15-24-42)50(58-35-41-21-12-8-13-22-41)48(61-52)37-57-34-40-19-10-7-11-20-40/h7-15,19-24,38-39,43-52,56H,16-18,25-37H2,1-6H3/t39-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,53+,54-,55-/m1/s1 |
| InChIKey | CTASBJAQWBZPSQ-IGBWJICOSA-N |
| Mol Weight | 835.2 g/mol |
| Molecular Formula | C55H78O6 |
| Exact Mass | 834.57984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBDB47o1fYy |
|---|---|
| Name | CHOLESTAN-3'-BETA-YL-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 15H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H78O6 |
| InChI | InChI=1S/C55H78O6/c1-38(2)17-16-18-39(3)45-25-26-46-44-28-30-53(4)33-43(27-32-55(53,6)47(44)29-31-54(45,46)5)60-52-49(56)51(59-36-42-23-14-9-15-24-42)50(58-35-41-21-12-8-13-22-41)48(61-52)37-57-34-40-19-10-7-11-20-40/h7-15,19-24,38-39,43-52,56H,16-18,25-37H2,1-6H3/t39-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,53+,54-,55-/m1/s1 |
| InChIKey | CTASBJAQWBZPSQ-IGBWJICOSA-N |
| Literature Reference Author | I.CUMPSTEY,A.J.FAIRBANKS,A.J.REDGRAVE |
| Literature Reference Citation | ORG.LETTERS,3,2371(2001) |
| Literature Reference DOI | 10.1021/ol016175a |
| Molecular Weight | 835.221 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU35766 |