| SpectraBase Compound ID | BYXXrJ9JAfb |
|---|---|
| InChI | InChI=1S/C22H24O7/c1-11(23)29-16-9-22-10-28-19(25)14(22)5-4-13-17-12(6-7-27-17)15(24)8-20(2,18(13)22)21(16,3)26/h5-7,13,16,18,26H,4,8-10H2,1-3H3/t13-,16+,18+,20+,21-,22+/m0/s1 |
| InChIKey | ZIVGMHCTDQKKGG-XKDUXEEFSA-N |
| Mol Weight | 400.43 g/mol |
| Molecular Formula | C22H24O7 |
| Exact Mass | 400.152203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LadQuF1reSe |
|---|---|
| Name | TONALENIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24O7 |
| InChI | InChI=1S/C22H24O7/c1-11(23)29-16-9-22-10-28-19(25)14(22)5-4-13-17-12(6-7-27-17)15(24)8-20(2,18(13)22)21(16,3)26/h5-7,13,16,18,26H,4,8-10H2,1-3H3/t13-,16+,18+,20+,21-,22+/m0/s1 |
| InChIKey | ZIVGMHCTDQKKGG-XKDUXEEFSA-N |
| Literature Reference Author | E.MALDONADO,A.ORTEGA |
| Literature Reference Citation | PHYTOCHEM.,45,1461(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00168-4 |
| Molecular Weight | 400.428 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP594 |