Entry DOI: doi:10.13018/BMSE001006
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001006.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001006.molAll files for
bmse001006Time Domain Data:
bmse001006.zipSample and instrument details are given with the spectrum
Set 1
Sample:
Conditions:
Spectrometer:
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C6 | C1 | 99.185 | 1 |
C6 | C1 | 95.014 | 1 |
C5 | C2 | 74.591 | 4 |
C5 | C2 | 71.066 | 4 |
C5 | C2 | 75.518 | 4 |
C5 | C2 | 71.890 | 4 |
C5 | C2 | 72.032 | 4 |
C5 | C2 | 71.471 | 4 |
C5 | C2 | 77.897 | 4 |
C5 | C2 | 73.218 | 4 |
C4 | C3 | 74.591 | 4 |
C4 | C3 | 71.066 | 4 |
C4 | C3 | 75.518 | 4 |
C4 | C3 | 71.890 | 4 |
C4 | C3 | 72.032 | 4 |
C4 | C3 | 71.471 | 4 |
C4 | C3 | 77.897 | 4 |
C4 | C3 | 73.218 | 4 |
C3 | C4 | 74.591 | 4 |
C3 | C4 | 71.066 | 4 |
C3 | C4 | 75.518 | 4 |
C3 | C4 | 71.890 | 4 |
C3 | C4 | 72.032 | 4 |
C3 | C4 | 71.471 | 4 |
C3 | C4 | 77.897 | 4 |
C3 | C4 | 73.218 | 4 |
C2 | C5 | 74.591 | 4 |
C2 | C5 | 71.066 | 4 |
C2 | C5 | 75.518 | 4 |
C2 | C5 | 71.890 | 4 |
C2 | C5 | 72.032 | 4 |
C2 | C5 | 71.471 | 4 |
C2 | C5 | 77.897 | 4 |
C2 | C5 | 73.218 | 4 |
C1 | C6 | 63.921 | 1 |
C1 | C6 | 63.716 | 1 |
H19 | H13 | 5.254 | 1 |
H19 | H13 | 4.575 | 1 |
H18 | H14 | 4.079 | 4 |
H18 | H14 | 3.975 | 4 |
H18 | H14 | 3.918 | 4 |
H18 | H14 | 3.820 | 4 |
H18 | H14 | 3.727 | 4 |
H18 | H14 | 3.639 | 4 |
H18 | H14 | 3.480 | 4 |
H17 | H15 | 4.079 | 4 |
H17 | H15 | 3.975 | 4 |
H17 | H15 | 3.918 | 4 |
H17 | H15 | 3.820 | 4 |
H17 | H15 | 3.727 | 4 |
H17 | H15 | 3.639 | 4 |
H17 | H15 | 3.480 | 4 |
H16 | H16 | 4.079 | 4 |
H16 | H16 | 3.975 | 4 |
H16 | H16 | 3.918 | 4 |
H16 | H16 | 3.820 | 4 |
H16 | H16 | 3.727 | 4 |
H16 | H16 | 3.639 | 4 |
H16 | H16 | 3.480 | 4 |
H15 | H17 | 4.079 | 4 |
H15 | H17 | 3.975 | 4 |
H15 | H17 | 3.918 | 4 |
H15 | H17 | 3.820 | 4 |
H15 | H17 | 3.727 | 4 |
H15 | H17 | 3.639 | 4 |
H15 | H17 | 3.480 | 4 |
H13 | H18 | 3.727 | 4 |
H14 | H19 | 3.727 | 4 |
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
8: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
9: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz