| SpectraBase Compound ID | 5Dvo3FUxBY |
|---|---|
| InChI | InChI=1S/C36H40O16/c1-41-35-31-29(27-21(45-35)17-43-33(51-27)19-9-5-3-6-10-19)47-23(37)14-16-26(40)50-32-30(48-24(38)13-15-25(39)49-31)28-22(46-36(32)42-2)18-44-34(52-28)20-11-7-4-8-12-20/h3-12,21-22,27-36H,13-18H2,1-2H3/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+/m1/s1 |
| InChIKey | JDZQGGHCIUMCQA-CYSUKILVSA-N |
| Mol Weight | 728.7 g/mol |
| Molecular Formula | C36H40O16 |
| Exact Mass | 728.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELW46VXmt10 |
|---|---|
| Name | JDZQGGHCIUMCQA-CYSUKILVSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O16 |
| InChI | InChI=1S/C36H40O16/c1-41-35-31-29(27-21(45-35)17-43-33(51-27)19-9-5-3-6-10-19)47-23(37)14-16-26(40)50-32-30(48-24(38)13-15-25(39)49-31)28-22(46-36(32)42-2)18-44-34(52-28)20-11-7-4-8-12-20/h3-12,21-22,27-36H,13-18H2,1-2H3/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+/m1/s1 |
| InChIKey | JDZQGGHCIUMCQA-CYSUKILVSA-N |
| Literature Reference Author | M.M.BASSON,M.W.BREDENKAMP,C.W.HOLZAPFEL |
| Literature Reference Citation | TETRAH.LETT.,30,591(1989) |
| Literature Reference DOI | 10.1016/S0040-4039(00)95263-8 |
| Molecular Weight | 728.704 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12848 |