Progesterone (C21H30O2)
BMRB entry bmse000482
Entry DOI: doi:10.13018/BMSE000482
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000482.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000482.molAll files for
bmse000482Time Domain Data:
bmse000482.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C18 | C3 | 58.680 | 1 |
| C21 | C4 | 46.589 | 1 |
| C16 | C5 | 38.203 | 1 |
| C19 | C6 | 56.301 | 1 |
| C20 | C7 | 41.236 | 1 |
| C17 | C8 | 66.164 | 1 |
| C11 | C9 | 41.322 | 1 |
| C9 | C10 | 23.682 | 1 |
| C7 | C11 | 27.028 | 1 |
| C5 | C12 | 35.721 | 4 |
| C6 | C13 | 25.484 | 1 |
| C14 | C14 | 173.634 | 1 |
| C3 | C15 | 16.004 | 1 |
| C4 | C16 | 33.957 | 4 |
| C10 | C17 | 32.781 | 4 |
| C2 | C18 | 20.036 | 1 |
| C13 | C19 | 211.989 | 1 |
| C8 | C20 | 31.895 | 4 |
| C12 | C21 | 126.599 | 1 |
| C15 | C22 | 202.120 | 1 |
| C1 | C23 | 34.183 | 1 |
| H52 | H24 | 1.191 | 4 |
| H50 | H25 | 2.366 | 4 |
| H53 | H26 | 1.028 | 4 |
| H51 | H27 | 2.541 | 1 |
| H47 | H28 | 2.049 | 2 |
| H48 | H29 | 2.049 | 2 |
| H43 | H30 | 1.588 | 4 |
| H44 | H31 | 1.588 | 4 |
| H39 | H32 | 1.268 | 4 |
| H40 | H33 | 1.866 | 4 |
| H35 | H34 | 2.190 | 4 |
| H36 | H35 | 1.866 | 4 |
| H37 | H36 | 1.588 | 4 |
| H38 | H37 | 2.190 | 4 |
| H30 | H38 | 0.669 | 1 |
| H32 | H39 | 0.669 | 1 |
| H31 | H40 | 0.669 | 1 |
| H33 | H41 | 1.588 | 4 |
| H34 | H42 | 1.268 | 4 |
| H45 | H43 | 1.028 | 4 |
| H46 | H44 | 2.366 | 4 |
| H27 | H45 | 1.191 | 1 |
| H29 | H46 | 1.191 | 1 |
| H28 | H47 | 1.191 | 1 |
| H41 | H48 | 2.190 | 4 |
| H42 | H49 | 1.866 | 4 |
| H49 | H50 | 5.735 | 1 |
| H25 | H51 | 2.128 | 1 |
| H24 | H52 | 2.128 | 1 |
| H26 | H53 | 2.128 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000482/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000482/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000482/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000482/nmr/set01/spectra/HH_COSY.png)