Corticosterone (C21H30O4)
BMRB entry bmse000669
Entry DOI: doi:10.13018/BMSE000669
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000669.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000669.molAll files for
bmse000669Time Domain Data:
bmse000669.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | C5 | 58.312 | 1 |
| C21 | C6 | 44.37 | 1 |
| C14 | C7 | 32.381 | 1 |
| C19 | C8 | 57.06 | 1 |
| C20 | C9 | 40.073 | 1 |
| C10 | C10 | 48.133 | 1 |
| C16 | C11 | 59.736 | 1 |
| C17 | C12 | 68.074 | 1 |
| C5 | C13 | 25.133 | 1 |
| C4 | C14 | 33.694 | 1 |
| C6 | C15 | 22.923 | 1 |
| C12 | C16 | 172.361 | 1 |
| C2 | C17 | 16.189 | 1 |
| C3 | C18 | 32.573 | 1 |
| C8 | C19 | 35.578 | 1 |
| C1 | C20 | 21.247 | 1 |
| C18 | C21 | 210.652 | 1 |
| C7 | C22 | 34.419 | 1 |
| C9 | C23 | 122.648 | 1 |
| C13 | C24 | 198.381 | 1 |
| C11 | C25 | 69.836 | 1 |
| H50 | H26 | 1.22 | 1 |
| H49 | H27 | 2.865 | 4 |
| H53 | H28 | 1.069 | 1 |
| H45 | H29 | 2.558 | 4 |
| H46 | H30 | 2.405 | 4 |
| H51 | H31 | 2.213 | 4 |
| H52 | H32 | 4.439 | 1 |
| H36 | H33 | 1.381 | 4 |
| H37 | H34 | 2.865 | 4 |
| H34 | H35 | 1.069 | 4 |
| H35 | H36 | 2.865 | 4 |
| H38 | H37 | 2.037 | 4 |
| H39 | H38 | 1.742 | 4 |
| H29 | H39 | 0.905 | 1 |
| H31 | H40 | 0.905 | 1 |
| H30 | H41 | 0.905 | 1 |
| H32 | H42 | 2.865 | 4 |
| H33 | H43 | 2.558 | 4 |
| H42 | H44 | 2.405 | 4 |
| H43 | H45 | 2.213 | 4 |
| H26 | H46 | 1.484 | 1 |
| H28 | H47 | 1.484 | 1 |
| H27 | H48 | 1.484 | 1 |
| H40 | H49 | 2.037 | 4 |
| H41 | H50 | 1.742 | 4 |
| H55 | H51 | 2.865 | 4 |
| H44 | H52 | 5.571 | 1 |
| H47 | H53 | 4.157 | 1 |
| H48 | H54 | 4.157 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
