1H NMR Spectrum (1D, 200 MHz, D2O, predicted) (HMDB0002498)
Spectrum Details
HMDB ID: | HMDB0002498 |
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Compound name: | Taurochenodeoxycholate-7-sulfate |
Spectrum type: | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) |
Spectrum View
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Assignment Table | |||||||
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Row No. | Cluster Midpoint | No. Peaks | Coupling Type | No. H's | Atom No. | Peak Centers (ppm) | |
1 | 4.12 | 16 | m | 1 | 75 | 4.194.144.154.104.154.114.114.064.184.134.134.094.144.094.104.05 | |
2 | 4.05 | 7 | ddd | 1 | 82 | 4.114.094.074.054.034.013.99 | |
3 | 3.47 | 3 | t | 2 | 48 49 | 3.503.473.44 | |
4 | 3.09 | 6 | dt | 1 | 50 | 3.153.123.093.093.063.03 | |
5 | 3.03 | 6 | dt | 1 | 51 | 3.093.063.033.033.002.97 | |
6 | 2.36 | 3 | t | 2 | 45 46 | 2.392.362.33 | |
7 | 2.12 | 8 | ddd | 1 | 53 | 2.182.152.142.112.132.102.092.06 | |
8 | 2.12 | 8 | ddd | 1 | 58 | 2.192.162.142.112.132.102.082.05 | |
9 | 2.00 | 8 | ddd | 1 | 72 | 2.052.032.032.011.991.971.971.95 | |
10 | 2.00 | 8 | ddd | 1 | 64 | 2.082.042.021.982.021.981.961.92 | |
11 | 2.00 | 8 | m | 1 | 62 | 1.991.971.971.942.062.032.032.01 | |
12 | 2.00 | 16 | m | 1 | 55 | 2.011.961.991.942.001.951.971.932.072.032.052.002.062.022.041.99 | |
13 | 1.83 | 8 | ddd | 1 | 60 | 1.901.881.841.831.831.821.781.76 | |
14 | 1.77 | 12 | dtd | 1 | 43 | 1.851.821.821.791.781.751.791.761.751.721.721.69 | |
15 | 1.72 | 16 | m | 1 | 57 | 1.721.691.701.671.711.681.691.661.781.751.761.731.771.741.751.72 | |
16 | 1.71 | 16 | m | 1 | 56 | 1.761.701.701.641.721.661.661.601.821.761.761.701.781.721.721.66 | |
17 | 1.70 | 16 | ddd | 2 | 77 78 | 1.741.741.731.721.681.671.661.661.761.741.731.701.701.671.661.64 | |
18 | 1.66 | 16 | m | 1 | 73 | 1.681.631.641.591.671.621.631.581.741.691.701.651.731.681.691.64 | |
19 | 1.59 | 16 | ddd | 2 | 80 81 | 1.681.621.621.561.621.561.561.501.641.621.621.601.581.561.561.54 | |
20 | 1.59 | 8 | ddd | 1 | 59 | 1.671.621.611.571.611.571.561.51 | |
21 | 1.47 | 16 | m | 1 | 61 | 1.521.451.461.391.491.421.431.361.581.511.521.451.551.481.491.42 | |
22 | 1.44 | 16 | m | 1 | 79 | 1.511.461.471.421.471.421.431.381.501.451.461.411.461.411.421.37 | |
23 | 1.44 | 24 | m | 1 | 42 | 1.531.501.501.471.471.441.501.471.471.441.441.411.471.441.441.411.411.381.441.411.411.381.381.35 | |
24 | 1.43 | 12 | dtd | 1 | 44 | 1.511.481.481.451.441.411.451.421.411.381.381.35 | |
25 | 1.39 | 16 | m | 1 | 74 | 1.421.371.381.331.391.331.351.301.481.431.451.391.451.401.411.36 | |
26 | 1.32 | 16 | m | 1 | 54 | 1.361.301.311.251.331.271.281.221.421.361.371.311.391.331.341.28 | |
27 | 1.27 | 8 | ddd | 1 | 63 | 1.321.311.291.281.261.251.231.22 | |
28 | 1.00 | 2 | d | 3 | 39 40 41 | 1.020.98 | |
29 | 0.99 | 8 | ddd | 1 | 71 | 1.071.041.000.981.000.970.940.91 | |
30 | 0.91 | 1 | s | 3 | 68 69 70 | 0.91 | |
31 | 0.71 | 1 | s | 3 | 65 66 67 | 0.71 |
Experimental Conditions
Solvent: | D2O |
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Nucleus: | 1H |
Frequency: | 200 MHz |
Documentation
Document Description | Download | File Size |
---|---|---|
Peak List (TXT) | Download file | 30.7 KB |
Peak Assignments (TXT) | Download file | 1.34 KB |
Spectra Image with Peak Assignments | Not Available | Not Available |
Raw Spectrum Image | Not Available | Not Available |
nmrML File (NMRML) | Download file | 308 KB |
JCAMP-DX File (JDX) | Download file | 104 KB |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available