| SpectraBase Compound ID | 5RgUgmPHpgo |
|---|---|
| InChI | InChI=1S/C33H34O17/c1-14(34)42-13-28-30(45-17(4)37)31(46-18(5)38)32(47-19(6)39)33(50-28)48-21-10-22(40)29-23(41)12-25(49-27(29)11-21)20-7-8-24(43-15(2)35)26(9-20)44-16(3)36/h7-11,25,28,30-33,40H,12-13H2,1-6H3/t25?,28-,30-,31+,32-,33-/m1/s1 |
| InChIKey | NJOSVEIEKGHQHF-ANQOAZQMSA-N |
| Mol Weight | 702.6 g/mol |
| Molecular Formula | C33H34O17 |
| Exact Mass | 702.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDZ4KQhdFcA |
|---|---|
| Name | HEXAACETYLPYRACANTHOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H34O17 |
| InChI | InChI=1S/C33H34O17/c1-14(34)42-13-28-30(45-17(4)37)31(46-18(5)38)32(47-19(6)39)33(50-28)48-21-10-22(40)29-23(41)12-25(49-27(29)11-21)20-7-8-24(43-15(2)35)26(9-20)44-16(3)36/h7-11,25,28,30-33,40H,12-13H2,1-6H3/t25?,28-,30-,31+,32-,33-/m1/s1 |
| InChIKey | NJOSVEIEKGHQHF-ANQOAZQMSA-N |
| Literature Reference Author | A.R.BILIA,S.CATALANO,F.D.SIMONE,I.MORELLI,C.PIZZA |
| Literature Reference Citation | PHYTOCHEM.,30,3830(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)80128-N |
| Molecular Weight | 702.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU28137 |