| SpectraBase Compound ID | xymNBWFGFz |
|---|---|
| InChI | InChI=1S/C54H68O18/c1-34(55)64-33-40-41(57-2)43(58-3)48(60-5)53(69-40)71-46-44(59-4)49(61-6)54(72-47(46)51(56)67-31-38-26-18-11-19-27-38)70-42-39(32-63-28-35-20-12-8-13-21-35)68-52(62-7)50(66-30-37-24-16-10-17-25-37)45(42)65-29-36-22-14-9-15-23-36/h8-27,39-50,52-54H,28-33H2,1-7H3/t39-,40+,41+,42-,43-,44+,45+,46+,47+,48+,49-,50-,52+,53+,54-/m0/s1 |
| InChIKey | DSHDRSBNMLUQEQ-HCINBOKLSA-N |
| Mol Weight | 1005.1 g/mol |
| Molecular Formula | C54H68O18 |
| Exact Mass | 1004.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7p2j53vFEuD |
|---|---|
| Name | DSHDRSBNMLUQEQ-HCINBOKLSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H68O18 |
| InChI | InChI=1S/C54H68O18/c1-34(55)64-33-40-41(57-2)43(58-3)48(60-5)53(69-40)71-46-44(59-4)49(61-6)54(72-47(46)51(56)67-31-38-26-18-11-19-27-38)70-42-39(32-63-28-35-20-12-8-13-21-35)68-52(62-7)50(66-30-37-24-16-10-17-25-37)45(42)65-29-36-22-14-9-15-23-36/h8-27,39-50,52-54H,28-33H2,1-7H3/t39-,40+,41+,42-,43-,44+,45+,46+,47+,48+,49-,50-,52+,53+,54-/m0/s1 |
| InChIKey | DSHDRSBNMLUQEQ-HCINBOKLSA-N |
| Literature Reference Author | J.BOOTSMA,G.WAGENAARS,E.DREEF,F.HOUT,E.KELLENBACH |
| Literature Reference Citation | MAGN.RES.CHEM.,39,288(2001) |
| Literature Reference DOI | 10.1002/mrc.836 |
| Molecular Weight | 1005.123 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24911 |