| SpectraBase Compound ID | JGKkk0weNvR |
|---|---|
| InChI | InChI=1S/C22H38O6/c1-13(11-18(24)25)7-9-20(4)14(2)8-10-21(5)17(20)12-16(28-15(3)23)19(26)22(21,6)27/h13-14,16-17,19,26-27H,7-12H2,1-6H3,(H,24,25)/t13-,14+,16+,17+,19+,20-,21+,22-/m1/s1 |
| InChIKey | QGNGYGVZRYEDPJ-PRGFDKRFSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C22H38O6 |
| Exact Mass | 398.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LOcJA8iyGH |
|---|---|
| Name | 2-ACETYL-ENT-DIHYDROTUCUMANOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38O6 |
| InChI | InChI=1S/C22H38O6/c1-13(11-18(24)25)7-9-20(4)14(2)8-10-21(5)17(20)12-16(28-15(3)23)19(26)22(21,6)27/h13-14,16-17,19,26-27H,7-12H2,1-6H3,(H,24,25)/t13-,14+,16+,17+,19+,20-,21+,22-/m1/s1 |
| InChIKey | QGNGYGVZRYEDPJ-PRGFDKRFSA-N |
| Literature Reference Author | R.MARTINEZ,J.S.CALDERON,R.A.TOSCANO,L.VALLE-AGUILERA,H.M.MEN DOZA-CANDELARIA |
| Literature Reference Citation | PHYTOCHEM.,35,1505(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86885-5 |
| Molecular Weight | 398.540 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU25265 |