| SpectraBase Compound ID | 45zstg5Canz |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13-11-18-9-6-15-17(2,3)7-4-8-19(15,16(21)22)20(18,23)10-5-14(13)12-18/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,18-,19-,20+/m1/s1 |
| InChIKey | GMODQHGWLIWBKU-NGTQAZIISA-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 | KwnlgR5gMtq |
|---|---|
| Name | ROTUNDEIC-ACID-C;ENT-9-ALPHA-HYDROXYKAUR-16-EN-20-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13-11-18-9-6-15-17(2,3)7-4-8-19(15,16(21)22)20(18,23)10-5-14(13)12-18/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,18-,19-,20+/m1/s1 |
| InChIKey | GMODQHGWLIWBKU-NGTQAZIISA-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:CD3OD |
| Source File Reference | UWPA214 |