| SpectraBase Compound ID | eRj0zQZ36m |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-12-13-5-6-15-19(11-13,16(12)21)10-7-14-18(2,3)8-4-9-20(14,15)17(22)23/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15?,16-,19-,20+/m1/s1 |
| InChIKey | OPKKBOZLQOGRNE-VPXGLRDVSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95huo1CDiUx |
|---|---|
| Name | ROTUNDEIC-ACID-A;ENT-15-ALPHA-HYDROXYKAUR-16-EN-20-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-12-13-5-6-15-19(11-13,16(12)21)10-7-14-18(2,3)8-4-9-20(14,15)17(22)23/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15?,16-,19-,20+/m1/s1 |
| InChIKey | OPKKBOZLQOGRNE-VPXGLRDVSA-N |
| Literature Reference Author | F.NAGASHIMA,H.TANAKA,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,44,653(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00604-8 |
| Molecular Weight | 318.456 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA211 |