2,3-dideoxycytidine (C9H13N3O3)
BMRB entry bmse000712
Entry DOI: doi:10.13018/BMSE000712
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000712.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000712.molAll files for
bmse000712Time Domain Data:
bmse000712.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C8 | C7 | 89.74 | 1 |
| C2 | C8 | 34.608 | 1 |
| C1 | C9 | 27.451 | 1 |
| C6 | C10 | 84.935 | 1 |
| C5 | C11 | 65.39 | 1 |
| C4 | C12 | 144.306 | 1 |
| C9 | C13 | 160.36 | 1 |
| C3 | C14 | 98.332 | 1 |
| C7 | C15 | 168.858 | 1 |
| H25 | H16 | 6.067 | 1 |
| H18 | H17 | 2.450 | 4 |
| H18 | H17 | 2.069 | 4 |
| H19 | H18 | 2.450 | 4 |
| H19 | H18 | 2.069 | 4 |
| H16 | H19 | 2.069 | 4 |
| H16 | H19 | 1.789 | 4 |
| H17 | H20 | 2.069 | 4 |
| H17 | H20 | 1.789 | 4 |
| H24 | H21 | 4.245 | 1 |
| H22 | H22 | 3.882 | 2 |
| H22 | H22 | 3.738 | 2 |
| H23 | H23 | 3.882 | 2 |
| H23 | H23 | 3.738 | 2 |
| H21 | H24 | 7.893 | 1 |
| H20 | H25 | 6.015 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
