1H NMR Spectrum (1D, 700 MHz, D2O, predicted) (HMDB0002498)
Spectrum Details
HMDB ID: | HMDB0002498 |
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Compound name: | Taurochenodeoxycholate-7-sulfate |
Spectrum type: | 1H NMR Spectrum (1D, 700 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 | 4.144.134.134.114.134.124.124.104.144.124.124.114.134.114.114.10 | |
2 | 4.05 | 7 | ddd | 1 | 82 | 4.074.064.064.054.044.044.03 | |
3 | 3.47 | 3 | t | 2 | 48 49 | 3.483.473.46 | |
4 | 3.09 | 6 | dt | 1 | 50 | 3.113.103.093.093.083.07 | |
5 | 3.03 | 6 | dt | 1 | 51 | 3.053.043.033.033.023.01 | |
6 | 2.36 | 3 | t | 2 | 45 46 | 2.372.362.35 | |
7 | 2.12 | 8 | ddd | 1 | 53 | 2.142.132.132.122.122.112.112.10 | |
8 | 2.12 | 8 | ddd | 1 | 58 | 2.142.132.132.122.122.112.112.10 | |
9 | 2.00 | 16 | m | 1 | 55 | 2.001.992.001.982.001.991.991.982.022.012.012.002.022.002.012.00 | |
10 | 2.00 | 8 | ddd | 1 | 64 | 2.022.012.011.992.011.991.991.98 | |
11 | 2.00 | 8 | m | 1 | 62 | 2.001.991.991.982.022.012.012.00 | |
12 | 2.00 | 8 | ddd | 1 | 72 | 2.012.012.012.002.001.991.991.99 | |
13 | 1.83 | 8 | ddd | 1 | 60 | 1.851.841.831.831.831.831.821.81 | |
14 | 1.77 | 12 | dtd | 1 | 43 | 1.791.781.781.771.771.761.781.771.771.761.761.75 | |
15 | 1.72 | 16 | m | 1 | 57 | 1.721.711.711.711.721.711.711.701.741.731.731.721.731.731.731.72 | |
16 | 1.71 | 16 | m | 1 | 56 | 1.721.711.711.691.711.691.701.681.741.721.731.711.731.711.711.70 | |
17 | 1.70 | 16 | ddd | 2 | 77 78 | 1.711.711.711.711.691.691.691.691.721.711.711.701.701.691.691.68 | |
18 | 1.66 | 16 | m | 1 | 73 | 1.671.651.651.641.661.651.651.641.681.671.671.661.681.671.671.65 | |
19 | 1.59 | 16 | ddd | 2 | 80 81 | 1.621.601.601.581.601.581.581.561.601.601.601.591.591.581.581.58 | |
20 | 1.59 | 8 | ddd | 1 | 59 | 1.611.601.601.581.601.581.581.57 | |
21 | 1.47 | 16 | m | 1 | 61 | 1.481.461.471.451.471.461.461.441.501.481.481.471.491.471.481.46 | |
22 | 1.44 | 24 | m | 1 | 42 | 1.471.461.461.451.451.441.461.451.451.441.441.431.451.441.441.431.431.421.441.431.431.421.421.41 | |
23 | 1.44 | 16 | m | 1 | 79 | 1.461.441.451.431.451.431.441.421.461.441.451.431.451.431.441.42 | |
24 | 1.43 | 12 | dtd | 1 | 44 | 1.451.441.441.431.431.421.441.431.431.421.421.41 | |
25 | 1.39 | 16 | m | 1 | 74 | 1.401.381.391.371.391.371.381.361.421.401.411.391.411.391.401.38 | |
26 | 1.32 | 16 | m | 1 | 54 | 1.331.311.321.301.321.311.311.291.351.331.331.321.341.321.331.31 | |
27 | 1.27 | 8 | ddd | 1 | 63 | 1.281.281.281.271.271.261.261.26 | |
28 | 1.00 | 2 | d | 3 | 39 40 41 | 1.001.00 | |
29 | 0.99 | 8 | ddd | 1 | 71 | 1.011.000.990.990.990.990.980.97 | |
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: | 700 MHz |
Documentation
Document Description | Download | File Size |
---|---|---|
Peak List (TXT) | Download file | 27.9 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 | 309 KB |
JCAMP-DX File (JDX) | Download file | 101 KB |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available