| SpectraBase Compound ID | Lli8ZrIsDES |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-14-7-8-15-18(2,3)16(22)9-10-20(15,5)21(14)12-11-19(4,25-21)13-17(23)24-6/h7,15H,8-13H2,1-6H3/t15-,19+,20-,21+/m0/s1 |
| InChIKey | KJRHRABHSBLGHJ-PSMQTCRGSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wuQ2fxO0p8 |
|---|---|
| Name | 3-KETOGRINDELIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-14-7-8-15-18(2,3)16(22)9-10-20(15,5)21(14)12-11-19(4,25-21)13-17(23)24-6/h7,15H,8-13H2,1-6H3/t15-,19+,20-,21+/m0/s1 |
| InChIKey | KJRHRABHSBLGHJ-PSMQTCRGSA-N |
| Literature Reference Author | A.J.ALADESANMI,J.J.HOFFMANN |
| Literature Reference Citation | PHYTOCHEM.,30,1847(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85026-V |
| Molecular Weight | 348.483 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU27573 |