Entry DOI: doi:10.13018/BMSE001138
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001138.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001138.molAll files for
bmse001138Time Domain Data:
bmse001138.zipSample and instrument details are given with the spectrum
Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
Atom ID | Value | Ambiguity Code |
---|---|---|
C10 | 73.5067 | 1 |
C8 | 41.8118 | 1 |
C6 | 22.8011 | 1 |
C4 | 27.8619 | 1 |
C5 | 144.79 | 1 |
C7 | 124.3097 | 1 |
C9 | 132.0059 | 1 |
C2 | 25.7118 | 2 |
C3 | 17.8794 | 2 |
C1 | 111.6845 | 1 |
H29 | 2.026 | 1 |
H27 | 2.026 | 1 |
H28 | 1.5736 | 1 |
H24 | 1.5736 | 1 |
H25 | 1.2842 | 1 |
H21 | 1.2842 | 1 |
H22 | 1.2842 | 1 |
H20 | 5.9143 | 1 |
H23 | 5.125 | 1 |
H14 | 1.6072 | 2 |
H15 | 1.6072 | 2 |
H16 | 1.6072 | 2 |
H17 | 1.6865 | 2 |
H18 | 1.6865 | 2 |
H19 | 1.6865 | 2 |
H12 | 5.0675 | 2 |
H13 | 5.2166 | 2 |
1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz