Diosgenin (C27H42O3)
BMRB entry bmse001247
Entry DOI: doi:10.13018/BMSE001247
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001247.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001247.molAll files for
bmse001247Time Domain Data:
bmse001247.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 17.3218 | 1 |
| C2 | 14.711 | 1 |
| C3 | 19.5976 | 1 |
| C4 | 16.4717 | 1 |
| C5 | 121.605 | 1 |
| C6 | 32.2094 | 1 |
| C7 | 28.9488 | 1 |
| C8 | 31.7684 | 1 |
| C9 | 21.03 | 1 |
| C10 | 37.3695 | 1 |
| C11 | 39.9408 | 1 |
| C12 | 31.5315 | 1 |
| C13 | 42.4222 | 1 |
| C14 | 32.0044 | 1 |
| C15 | 67.011 | 1 |
| C16 | 30.4621 | 1 |
| C17 | 41.7543 | 1 |
| C18 | 140.9503 | 1 |
| C19 | 71.8932 | 1 |
| C20 | 31.586 | 1 |
| C21 | 50.1846 | 1 |
| C22 | 56.6642 | 1 |
| C23 | 80.9887 | 1 |
| C24 | 62.2112 | 1 |
| C25 | 36.7994 | 1 |
| C26 | 40.4188 | 1 |
| C27 | 109.4758 | 1 |
| H31 | 0.7865 | 1 |
| H32 | 0.7865 | 1 |
| H33 | 0.7865 | 1 |
| H34 | 0.9703 | 1 |
| H35 | 0.9703 | 1 |
| H36 | 0.9703 | 1 |
| H37 | 1.0246 | 1 |
| H38 | 1.0246 | 1 |
| H39 | 1.0246 | 1 |
| H40 | 0.7865 | 1 |
| H41 | 0.7865 | 1 |
| H42 | 0.7865 | 1 |
| H43 | 5.3361 | 1 |
| H44 | 1.278 | 1 |
| H45 | 1.278 | 1 |
| H46 | 1.6092 | 1 |
| H47 | 1.6092 | 1 |
| H48 | 1.5023 | 1 |
| H49 | 1.5023 | 1 |
| H50 | 1.5127 | 1 |
| H51 | 1.5127 | 1 |
| H52 | 1.061 | 2 |
| H53 | 1.8227 | 2 |
| H54 | 1.1675 | 2 |
| H55 | 1.7196 | 2 |
| H56 | 1.5928 | 1 |
| H57 | 1.5928 | 1 |
| H58 | 2.2817 | 1 |
| H59 | 2.2817 | 1 |
| H60 | 1.9828 | 1 |
| H61 | 1.9828 | 1 |
| H62 | 3.3701 | 2 |
| H63 | 3.4612 | 2 |
| H64 | 1.6001 | 1 |
| H65 | 1.8626 | 1 |
| H66 | 3.5144 | 1 |
| H67 | 1.8278 | 1 |
| H68 | 0.948 | 1 |
| H69 | 1.101 | 1 |
| H70 | 4.3949 | 1 |
| H71 | 1.7762 | 1 |
NMR experiments
1: 1D 1H
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 50mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
