Quinidine (C20H24N2O2)
BMRB entry bmse000511
Entry DOI: doi:10.13018/BMSE000511
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000511.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000511.molAll files for
bmse000511Time Domain Data:
bmse000511.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C14 | C5 | 28.270 | 1 |
| C19 | C6 | 59.784 | 1 |
| C10 | C7 | 21.186 | 1 |
| C13 | C8 | 40.136 | 1 |
| C7 | C9 | 26.485 | 1 |
| C12 | C10 | 50.181 | 4 |
| C9 | C11 | 49.663 | 4 |
| C20 | C12 | 71.981 | 1 |
| C3 | C13 | 140.737 | 1 |
| C16 | C14 | 148.040 | 1 |
| C1 | C15 | 114.498 | 1 |
| C17 | C16 | 126.617 | 1 |
| C6 | C17 | 118.468 | 1 |
| C18 | C18 | 144.041 | 1 |
| C11 | C19 | 101.301 | 1 |
| C8 | C20 | 147.495 | 1 |
| C5 | C21 | 131.405 | 1 |
| C15 | C22 | 157.609 | 1 |
| C4 | C23 | 121.435 | 1 |
| C2 | C24 | 55.590 | 1 |
| H45 | H25 | 1.739 | 1 |
| H46 | H26 | 3.027 | 1 |
| H39 | H27 | 2.029 | 2 |
| H40 | H28 | 1.127 | 2 |
| H44 | H29 | 2.212 | 1 |
| H34 | H30 | 1.469 | 1 |
| H35 | H31 | 1.469 | 1 |
| H42 | H32 | 2.736 | 4 |
| H43 | H33 | 2.872 | 4 |
| H37 | H34 | 3.319 | 4 |
| H38 | H35 | 2.736 | 4 |
| H47 | H36 | 5.558 | 1 |
| H30 | H37 | 6.033 | 1 |
| H48 | H38 | 4.686 | 1 |
| H25 | H39 | 5.031 | 2 |
| H26 | H40 | 5.031 | 2 |
| H33 | H41 | 7.491 | 1 |
| H41 | H42 | 7.162 | 1 |
| H36 | H43 | 8.536 | 1 |
| H32 | H44 | 7.919 | 1 |
| H31 | H45 | 7.274 | 1 |
| H28 | H46 | 3.847 | 1 |
| H27 | H47 | 3.847 | 1 |
| H29 | H48 | 3.847 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000511/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000511/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000511/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000511/nmr/set01/spectra/HH_COSY.png)