Entry DOI: doi:10.13018/BMSE001209
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001209.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001209.molAll files for
bmse001209Time Domain Data:
bmse001209.zipSample and instrument details are given with the spectrum
Set 1
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
Atom ID | Value | Ambiguity Code |
---|---|---|
C5 | 68.1551 | 1 |
C6 | 50.952 | 1 |
C7 | 49.5201 | 1 |
C8 | 132.6418 | 1 |
C9 | 18.5908 | 2 |
C10 | 18.0543 | 2 |
C11 | 113.3996 | 1 |
C12 | 116.6024 | 1 |
C13 | 145.0492 | 1 |
C14 | 115.4482 | 1 |
C15 | 144.7892 | 1 |
H16 | 4.7963 | 1 |
H17 | 2.8561 | 2 |
H18 | 2.9239 | 2 |
H19 | 3.2902 | 1 |
H20 | 5.95 | 1 |
H21 | 1.2209 | 2 |
H22 | 1.2209 | 2 |
H23 | 1.2209 | 2 |
H24 | 1.2488 | 2 |
H25 | 1.2488 | 2 |
H26 | 1.2488 | 2 |
H27 | 6.7976 | 1 |
H28 | 6.6254 | 1 |
H30 | 6.7287 | 1 |
1: 1D 1H
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz