Entry DOI: doi:10.13018/BMSE001343
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001343.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001343.molAll files for
bmse001343Time Domain Data:
bmse001343.zipSample and instrument details are given with the spectrum
Set 1
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 30.9 | 1 |
| C2 | 58.0336 | 1 |
| C3 | 61.4812 | 1 |
| C4 | 65.2066 | 1 |
| C5 | 57.4686 | 1 |
| C6 | 55.0735 | 1 |
| C7 | 72.3961 | 1 |
| C8 | 73.2678 | 1 |
| C9 | 73.4071 | 1 |
| C10 | 75.3183 | 1 |
| H19 | 1.3697 | 4 |
| H20 | 1.3697 | 4 |
| H21 | 3.4066 | 1 |
| H22 | 3.4066 | 1 |
| H23 | 3.2995 | 4 |
| H24 | 3.3709 | 4 |
| H25 | 3.0184 | 4 |
| H26 | 3.3084 | 4 |
| H27 | 2.5209 | 1 |
| H28 | 3.0808 | 1 |
| H29 | 3.4712 | 1 |
| H30 | 3.2593 | 1 |
| H31 | 3.1076 | 1 |
1: 1D 1H
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

2: 2D 1H-1H TOCSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

3: 1D 13C
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

4: 1D DEPT90
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

5: 1D DEPT135
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

6: 2D 1H-13C HSQC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

7: 2D 1H-13C HSQC SW small
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

9: 2D 1H-1H COSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
