Entry DOI: doi:10.13018/BMSE000938
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000938.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000938.molAll files for
bmse000938Time Domain Data:
bmse000938.zipSample and instrument details are given with the spectrum
Set 1
Sample:
Conditions:
Spectrometer:
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C12 | C1 | 105.639 | 1 |
C12 | C1 | 105.624 | 1 |
C9 | C2 | 81.112 | 4 |
C9 | C2 | 80.978 | 4 |
C9 | C2 | 78.091 | 4 |
C9 | C2 | 77.534 | 4 |
C9 | C2 | 77.088 | 4 |
C9 | C2 | 76.532 | 4 |
C9 | C2 | 75.231 | 4 |
C9 | C2 | 74.143 | 4 |
C9 | C2 | 73.870 | 4 |
C9 | C2 | 73.691 | 4 |
C9 | C2 | 72.838 | 4 |
C9 | C2 | 71.278 | 4 |
C6 | C3 | 81.112 | 4 |
C6 | C3 | 80.978 | 4 |
C6 | C3 | 78.091 | 4 |
C6 | C3 | 77.534 | 4 |
C6 | C3 | 77.088 | 4 |
C6 | C3 | 76.532 | 4 |
C6 | C3 | 75.231 | 4 |
C6 | C3 | 74.143 | 4 |
C6 | C3 | 73.870 | 4 |
C6 | C3 | 73.691 | 4 |
C6 | C3 | 72.838 | 4 |
C6 | C3 | 71.278 | 4 |
C5 | C4 | 81.112 | 4 |
C5 | C4 | 80.978 | 4 |
C5 | C4 | 78.091 | 4 |
C5 | C4 | 77.534 | 4 |
C5 | C4 | 77.088 | 4 |
C5 | C4 | 76.532 | 4 |
C5 | C4 | 75.231 | 4 |
C5 | C4 | 74.143 | 4 |
C5 | C4 | 73.870 | 4 |
C5 | C4 | 73.691 | 4 |
C5 | C4 | 72.838 | 4 |
C5 | C4 | 71.278 | 4 |
C3 | C5 | 81.112 | 4 |
C3 | C5 | 80.978 | 4 |
C3 | C5 | 78.091 | 4 |
C3 | C5 | 77.534 | 4 |
C3 | C5 | 77.088 | 4 |
C3 | C5 | 76.532 | 4 |
C3 | C5 | 75.231 | 4 |
C3 | C5 | 74.143 | 4 |
C3 | C5 | 73.870 | 4 |
C3 | C5 | 73.691 | 4 |
C3 | C5 | 72.838 | 4 |
C3 | C5 | 71.278 | 4 |
C1 | C6 | 62.791 | 4 |
C1 | C6 | 62.656 | 4 |
C1 | C6 | 63.781 | 4 |
C11 | C13 | 98.483 | 1 |
C11 | C13 | 94.549 | 1 |
C8 | C14 | 81.112 | 4 |
C8 | C14 | 80.978 | 4 |
C8 | C14 | 78.091 | 4 |
C8 | C14 | 77.534 | 4 |
C8 | C14 | 77.088 | 4 |
C8 | C14 | 76.532 | 4 |
C8 | C14 | 75.231 | 4 |
C8 | C14 | 74.143 | 4 |
C8 | C14 | 73.870 | 4 |
C8 | C14 | 73.691 | 4 |
C8 | C14 | 72.838 | 4 |
C8 | C14 | 71.278 | 4 |
C7 | C15 | 81.112 | 4 |
C7 | C15 | 80.978 | 4 |
C7 | C15 | 78.091 | 4 |
C7 | C15 | 77.534 | 4 |
C7 | C15 | 77.088 | 4 |
C7 | C15 | 76.532 | 4 |
C7 | C15 | 75.231 | 4 |
C7 | C15 | 74.143 | 4 |
C7 | C15 | 73.870 | 4 |
C7 | C15 | 73.691 | 4 |
C7 | C15 | 72.838 | 4 |
C7 | C15 | 71.278 | 4 |
C10 | C16 | 81.112 | 4 |
C10 | C16 | 80.978 | 4 |
C10 | C16 | 78.091 | 4 |
C10 | C16 | 77.534 | 4 |
C10 | C16 | 77.088 | 4 |
C10 | C16 | 76.532 | 4 |
C10 | C16 | 75.231 | 4 |
C10 | C16 | 74.143 | 4 |
C10 | C16 | 73.870 | 4 |
C10 | C16 | 73.691 | 4 |
C10 | C16 | 72.838 | 4 |
C10 | C16 | 71.278 | 4 |
C4 | C17 | 81.112 | 4 |
C4 | C17 | 80.978 | 4 |
C4 | C17 | 78.091 | 4 |
C4 | C17 | 77.534 | 4 |
C4 | C17 | 77.088 | 4 |
C4 | C17 | 76.532 | 4 |
C4 | C17 | 75.231 | 4 |
C4 | C17 | 74.143 | 4 |
C4 | C17 | 73.870 | 4 |
C4 | C17 | 73.691 | 4 |
C4 | C17 | 72.838 | 4 |
C4 | C17 | 71.278 | 4 |
C2 | C18 | 62.791 | 4 |
C2 | C18 | 62.656 | 4 |
C2 | C18 | 63.781 | 4 |
H37 | H24 | 4.447 | 1 |
H34 | H25 | 3.941 | 4 |
H34 | H25 | 3.808 | 4 |
H34 | H25 | 3.663 | 4 |
H34 | H25 | 3.564 | 4 |
H31 | H26 | 3.941 | 4 |
H31 | H26 | 3.808 | 4 |
H31 | H26 | 3.663 | 4 |
H31 | H26 | 3.564 | 4 |
H30 | H27 | 3.941 | 4 |
H30 | H27 | 3.808 | 4 |
H30 | H27 | 3.663 | 4 |
H30 | H27 | 3.564 | 4 |
H28 | H28 | 3.941 | 4 |
H28 | H28 | 3.808 | 4 |
H28 | H28 | 3.663 | 4 |
H28 | H28 | 3.564 | 4 |
H24 | H29 | 3.941 | 4 |
H24 | H29 | 3.808 | 4 |
H24 | H29 | 3.663 | 4 |
H24 | H29 | 3.564 | 4 |
H25 | H30 | 3.941 | 4 |
H25 | H30 | 3.808 | 4 |
H25 | H30 | 3.663 | 4 |
H25 | H30 | 3.564 | 4 |
H36 | H35 | 5.221 | 1 |
H36 | H35 | 4.663 | 1 |
H33 | H36 | 3.941 | 4 |
H33 | H36 | 3.808 | 4 |
H33 | H36 | 3.663 | 4 |
H33 | H36 | 3.564 | 4 |
H32 | H37 | 3.941 | 4 |
H32 | H37 | 3.808 | 4 |
H32 | H37 | 3.663 | 4 |
H32 | H37 | 3.564 | 4 |
H35 | H38 | 3.941 | 4 |
H35 | H38 | 3.808 | 4 |
H35 | H38 | 3.663 | 4 |
H35 | H38 | 3.564 | 4 |
H29 | H39 | 3.941 | 4 |
H29 | H39 | 3.808 | 4 |
H29 | H39 | 3.663 | 4 |
H29 | H39 | 3.564 | 4 |
H26 | H40 | 3.941 | 4 |
H26 | H40 | 3.808 | 4 |
H26 | H40 | 3.663 | 4 |
H26 | H40 | 3.564 | 4 |
H27 | H41 | 3.941 | 4 |
H27 | H41 | 3.808 | 4 |
H27 | H41 | 3.663 | 4 |
H27 | H41 | 3.564 | 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