Androsterone (C19H30O2)
BMRB entry bmse000543
Entry DOI: doi:10.13018/BMSE000543
Data source: Madison Metabolomics Consortium - Francisca Jofre, Irene Poulet, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000543.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000543.molAll files for
bmse000543Time Domain Data:
bmse000543.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 |
|---|---|---|---|
| C16 | C3 | 56.573 | 1 |
| C18 | C4 | 37.958 | 1 |
| C14 | C5 | 36.882 | 1 |
| C15 | C6 | 53.297 | 1 |
| C12 | C7 | 40.794 | 1 |
| C19 | C8 | 49.178 | 1 |
| C8 | C9 | 21.789 | 1 |
| C4 | C10 | 32.775 | 1 |
| C10 | C11 | 33.647 | 1 |
| C3 | C12 | 30.212 | 1 |
| C9 | C13 | 34.098 | 1 |
| C5 | C14 | 23.315 | 1 |
| C11 | C15 | 30.875 | 1 |
| C1 | C16 | 12.602 | 1 |
| C17 | C17 | 220.637 | 1 |
| C7 | C18 | 37.885 | 1 |
| C6 | C19 | 36.991 | 1 |
| C13 | C20 | 66.925 | 1 |
| C2 | C21 | 15.053 | 1 |
| H50 | H22 | 0.787 | 1 |
| H48 | H23 | 1.416 | 4 |
| H49 | H24 | 1.416 | 4 |
| H46 | H25 | 1.416 | 4 |
| H38 | H26 | 1.416 | 4 |
| H39 | H27 | 1.416 | 4 |
| H30 | H28 | 1.813 | 2 |
| H30 | H28 | 1.028 | 2 |
| H31 | H29 | 1.813 | 2 |
| H31 | H29 | 1.028 | 2 |
| H42 | H30 | 1.416 | 4 |
| H43 | H31 | 1.416 | 4 |
| H28 | H32 | 1.416 | 4 |
| H29 | H33 | 1.416 | 4 |
| H40 | H34 | 1.416 | 4 |
| H41 | H35 | 1.416 | 4 |
| H32 | H36 | 1.967 | 4 |
| H32 | H36 | 1.416 | 4 |
| H33 | H37 | 1.967 | 4 |
| H33 | H37 | 1.416 | 4 |
| H44 | H38 | 1.416 | 4 |
| H45 | H39 | 1.416 | 4 |
| H22 | H40 | 0.836 | 4 |
| H24 | H41 | 0.836 | 4 |
| H23 | H42 | 0.836 | 4 |
| H36 | H43 | 1.416 | 4 |
| H37 | H44 | 1.416 | 4 |
| H34 | H45 | 2.365 | 2 |
| H34 | H45 | 1.967 | 2 |
| H35 | H46 | 2.365 | 2 |
| H35 | H46 | 1.967 | 2 |
| H47 | H47 | 3.946 | 1 |
| H26 | H48 | 0.836 | 4 |
| H25 | H49 | 0.836 | 4 |
| H27 | H50 | 0.836 | 4 |
| H51 | H51 | 3.284 | 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
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000543/nmr/set01/spectra/HH_TOCSY.png)
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
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000543/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in acetone, 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/bmse000543/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: Saturated1 in acetone, 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/bmse000543/nmr/set01/spectra/HH_COSY.png)