Entry DOI: doi:10.13018/BMSE000879
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich
NMR-STAR file:
bmse000879.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000879.molAll files for
bmse000879Time Domain Data:
bmse000879.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample:
Conditions:
Spectrometer:
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C6 | C14 | 86.051 | 1 |
C4 | C15 | 74.254 | 1 |
C1 | C16 | 41.648 | 1 |
C5 | C17 | 89.025 | 1 |
C5 | C17 | 88.958 | 1 |
C2 | C18 | 66.738 | 1 |
C2 | C18 | 66.702 | 1 |
C8 | C19 | 153.868 | 1 |
C3 | C20 | 140.187 | 1 |
C7 | C21 | 118.638 | 1 |
C9 | C22 | 161.455 | 1 |
C10 | C23 | 156.526 | 1 |
H31 | H24 | 6.243 | 1 |
H29 | H25 | 4.705 | 1 |
H24 | H26 | 2.762 | 2 |
H24 | H26 | 2.533 | 2 |
H25 | H27 | 2.762 | 2 |
H25 | H27 | 2.533 | 2 |
H30 | H28 | 4.229 | 1 |
H26 | H29 | 3.972 | 1 |
H27 | H30 | 3.972 | 1 |
H28 | H32 | 8.121 | 1 |
1: 1D 1H
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
3: 1D DEPT90
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
5: 2D [1H,13C]-HSQC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
6: 2D [1H,13C]-HMBC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
7: 2D [1H,1H]-COSY
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
8: 2D [1H,13C]-HMQC
Sample: Saturatedn/a in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz