Magnolin (C23H28O7)
BMRB entry bmse001313
Entry DOI: doi:10.13018/BMSE001313
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001313.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001313.molAll files for
bmse001313Time Domain Data:
bmse001313.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 55.4469 | 4 |
| C2 | 55.5269 | 4 |
| C3 | 55.8462 | 1 |
| C4 | 55.8462 | 1 |
| C5 | 59.9596 | 1 |
| C6 | 109.8393 | 4 |
| C7 | 118.1743 | 4 |
| C8 | 111.5236 | 1 |
| C9 | 103.026 | 1 |
| C10 | 103.026 | 1 |
| C11 | 71.0668 | 4 |
| C12 | 71.2254 | 4 |
| C13 | 133.7866 | 1 |
| C14 | 137.2712 | 1 |
| C15 | 53.5755 | 4 |
| C16 | 53.8698 | 4 |
| C17 | 148.1465 | 4 |
| C18 | 148.7355 | 4 |
| C19 | 152.8841 | 1 |
| C20 | 152.8841 | 1 |
| C21 | 84.9319 | 4 |
| C22 | 85.1125 | 4 |
| C23 | 136.5279 | 1 |
| H31 | 3.7547 | 1 |
| H32 | 3.7547 | 1 |
| H33 | 3.7547 | 1 |
| H34 | 3.7547 | 1 |
| H35 | 3.7547 | 1 |
| H36 | 3.7547 | 1 |
| H37 | 3.785 | 1 |
| H38 | 3.785 | 1 |
| H39 | 3.785 | 1 |
| H40 | 3.785 | 1 |
| H41 | 3.785 | 1 |
| H42 | 3.785 | 1 |
| H43 | 3.6426 | 1 |
| H44 | 3.6426 | 1 |
| H45 | 3.6426 | 1 |
| H46 | 6.8932 | 4 |
| H47 | 6.9324 | 4 |
| H48 | 6.9018 | 1 |
| H49 | 6.663 | 1 |
| H50 | 6.663 | 1 |
| H51 | 3.817 | 4 |
| H52 | 4.1854 | 4 |
| H53 | 3.817 | 4 |
| H54 | 3.817 | 4 |
| H55 | 3.0699 | 1 |
| H56 | 3.0699 | 1 |
| H57 | 4.676 | 1 |
| H58 | 4.676 | 1 |
NMR experiments
1: 1D 1H
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
