Panaxatriol (C30H52O4)
BMRB entry bmse001317
Entry DOI: doi:10.13018/BMSE001317
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001317.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001317.molAll files for
bmse001317Time Domain Data:
bmse001317.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 19.189 | 4 |
| C2 | 27.0426 | 4 |
| C3 | 15.7812 | 4 |
| C4 | 31.0705 | 4 |
| C5 | 16.8132 | 4 |
| C6 | 16.9451 | 4 |
| C7 | 16.9957 | 4 |
| C8 | 32.775 | 1 |
| C9 | 35.8869 | 4 |
| C10 | 24.5741 | 4 |
| C11 | 38.3808 | 1 |
| C12 | 15.7505 | 4 |
| C13 | 35.1198 | 4 |
| C14 | 27.0301 | 1 |
| C15 | 30.1592 | 4 |
| C16 | 30.6079 | 4 |
| C17 | 46.3735 | 1 |
| C18 | 54.0792 | 1 |
| C19 | 69.1678 | 1 |
| C20 | 66.3767 | 1 |
| C21 | 48.6782 | 1 |
| C22 | 77.0216 | 1 |
| C23 | 48.4469 | 1 |
| C24 | 60.3854 | 1 |
| C25 | 72.4818 | 1 |
| C26 | 38.4134 | 1 |
| C27 | 40.0887 | 4 |
| C28 | 40.2294 | 4 |
| C29 | 50.5886 | 4 |
| C30 | 76.1885 | 1 |
| H35 | 1.1158 | 4 |
| H36 | 1.1158 | 4 |
| H37 | 1.1158 | 4 |
| H38 | 1.1923 | 4 |
| H39 | 1.1923 | 4 |
| H40 | 1.1923 | 4 |
| H41 | 0.8388 | 4 |
| H42 | 0.8388 | 4 |
| H43 | 0.8388 | 4 |
| H44 | 1.2187 | 4 |
| H45 | 1.2187 | 4 |
| H46 | 1.2187 | 4 |
| H47 | 0.8415 | 4 |
| H48 | 0.9655 | 4 |
| H49 | 0.8415 | 4 |
| H50 | 0.8415 | 4 |
| H51 | 0.8415 | 4 |
| H52 | 0.8415 | 4 |
| H53 | 0.8415 | 4 |
| H54 | 0.8415 | 4 |
| H55 | 0.8415 | 4 |
| H56 | 1.1132 | 1 |
| H57 | 1.1132 | 1 |
| H58 | 1.1132 | 1 |
| H59 | 1.1844 | 4 |
| H60 | 1.2978 | 4 |
| H61 | 0.9364 | 4 |
| H62 | 1.0208 | 4 |
| H63 | 0.9285 | 2 |
| H64 | 1.5511 | 2 |
| H65 | 1.5168 | 4 |
| H66 | 1.5194 | 4 |
| H67 | 1.5379 | 4 |
| H68 | 1.7463 | 4 |
| H69 | 1.4561 | 1 |
| H70 | 1.4561 | 1 |
| H71 | 1.1844 | 4 |
| H72 | 1.4508 | 4 |
| H73 | 1.675 | 4 |
| H74 | 1.7331 | 4 |
| H75 | 1.3958 | 2 |
| H76 | 1.4913 | 2 |
| H77 | 1.8245 | 1 |
| H78 | 3.3676 | 1 |
| H79 | 3.8624 | 1 |
| H80 | 1.3227 | 1 |
| H81 | 2.9286 | 1 |
| H82 | 1.4832 | 1 |
| H83 | 0.764 | 1 |
NMR experiments
1: 1D 1H
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
