| SpectraBase Compound ID | 2ltXgaBGXbB |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-12-6-7-16-19(3,8-5-9-20(16,4)18(24)25)14(12)11-15(21)13(2)10-17(22)23/h10,14-16,21H,1,5-9,11H2,2-4H3,(H,22,23)(H,24,25)/b13-10-/t14?,15-,16+,19+,20-/m0/s1 |
| InChIKey | WOWQUELSNFDJRP-LUJUZUBYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH5uYIVnK8m |
|---|---|
| Name | (S)-12-HYDROXYAGATHIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-12-6-7-16-19(3,8-5-9-20(16,4)18(24)25)14(12)11-15(21)13(2)10-17(22)23/h10,14-16,21H,1,5-9,11H2,2-4H3,(H,22,23)(H,24,25)/b13-10-/t14?,15-,16+,19+,20-/m0/s1 |
| InChIKey | WOWQUELSNFDJRP-LUJUZUBYSA-N |
| Literature Reference Author | Y.L.HSIEH,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,47,845(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00671-7 |
| Molecular Weight | 350.455 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS222 |