1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) (HMDB0062224)
Spectrum Details
HMDB ID: | HMDB0062224 |
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Compound name: | (24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA |
Spectrum type: | 1H NMR Spectrum (1D, 1000 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 | 8.49 | 1 | s | 1 | 121 | 8.49 | |
2 | 8.19 | 1 | s | 1 | 124 | 8.19 | |
3 | 5.97 | 2 | d | 1 | 120 | 5.975.97 | |
4 | 4.37 | 4 | dd | 1 | 125 | 4.384.374.374.36 | |
5 | 4.25 | 8 | ddd | 1 | 118 | 4.264.264.254.254.254.254.244.24 | |
6 | 4.23 | 8 | m | 1 | 91 | 4.244.244.244.234.234.224.224.22 | |
7 | 3.89 | 6 | dt | 1 | 159 | 3.893.893.893.893.893.89 | |
8 | 3.89 | 4 | dd | 1 | 140 | 3.893.893.893.89 | |
9 | 3.89 | 6 | td | 1 | 89 | 3.903.893.893.893.893.88 | |
10 | 3.85 | 8 | ddd | 1 | 127 | 3.863.853.853.853.853.853.853.84 | |
11 | 3.85 | 1 | s | 1 | 105 | 3.85 | |
12 | 3.85 | 3 | t | 2 | 102 103 | 3.863.853.84 | |
13 | 3.85 | 3 | t | 2 | 97 98 | 3.863.853.84 | |
14 | 3.85 | 8 | ddd | 1 | 117 | 3.863.863.853.853.853.853.843.84 | |
15 | 3.85 | 2 | d | 2 | 113 114 | 3.853.85 | |
16 | 3.49 | 16 | m | 1 | 152 | 3.503.493.503.493.503.493.493.483.503.493.493.483.493.483.493.48 | |
17 | 3.49 | 6 | dt | 1 | 119 | 3.503.493.493.493.493.48 | |
18 | 2.58 | 12 | dtd | 1 | 86 | 2.602.592.592.582.582.582.582.582.582.572.572.56 | |
19 | 2.25 | 3 | t | 2 | 100 101 | 2.262.252.24 | |
20 | 2.25 | 3 | t | 2 | 95 96 | 2.262.252.24 | |
21 | 2.12 | 8 | ddd | 1 | 137 | 2.132.132.122.122.122.122.112.11 | |
22 | 2.07 | 8 | ddd | 1 | 154 | 2.092.082.082.062.082.062.062.05 | |
23 | 2.00 | 8 | m | 1 | 134 | 2.001.992.001.982.022.002.012.00 | |
24 | 2.00 | 8 | ddd | 1 | 158 | 2.012.012.002.002.002.001.991.99 | |
25 | 2.00 | 8 | m | 1 | 150 | 2.001.992.001.982.022.002.012.00 | |
26 | 2.00 | 8 | ddd | 1 | 148 | 2.012.012.002.002.002.001.991.99 | |
27 | 2.00 | 8 | m | 1 | 132 | 2.011.991.991.982.022.012.011.99 | |
28 | 1.96 | 16 | m | 1 | 131 | 1.961.951.961.951.961.951.951.941.981.971.971.961.971.961.971.96 | |
29 | 1.83 | 8 | ddd | 1 | 135 | 1.841.841.831.831.831.831.821.82 | |
30 | 1.83 | 8 | ddd | 1 | 130 | 1.841.841.831.831.831.831.821.82 | |
31 | 1.70 | 8 | ddd | 1 | 157 | 1.711.711.711.701.701.691.691.69 | |
32 | 1.70 | 8 | ddd | 1 | 155 | 1.711.711.711.701.701.691.691.69 | |
33 | 1.59 | 16 | ddd | 2 | 138 139 | 1.601.601.591.591.591.591.581.581.601.601.591.591.591.591.581.58 | |
34 | 1.59 | 6 | td | 2 | 87 88 | 1.601.591.591.591.591.58 | |
35 | 1.59 | 6 | td | 1 | 136 | 1.601.601.591.591.581.58 | |
36 | 1.59 | 12 | dtd | 1 | 85 | 1.611.601.601.591.591.591.591.591.591.581.581.57 | |
37 | 1.47 | 16 | m | 1 | 133 | 1.481.461.471.451.471.461.461.451.491.481.481.471.491.471.481.46 | |
38 | 1.44 | 24 | m | 1 | 84 | 1.461.451.451.451.451.441.451.451.451.441.441.431.451.441.441.431.431.431.441.431.431.431.431.42 | |
39 | 1.42 | 16 | m | 1 | 156 | 1.431.421.431.421.431.421.421.411.431.421.421.411.421.411.421.41 | |
40 | 1.39 | 16 | m | 1 | 151 | 1.391.381.391.381.391.381.381.371.411.401.401.391.401.391.401.39 | |
41 | 1.12 | 2 | d | 3 | 92 93 94 | 1.121.12 | |
42 | 1.00 | 2 | d | 3 | 81 82 83 | 1.001.00 | |
43 | 0.99 | 8 | ddd | 1 | 149 | 1.001.000.990.990.990.990.980.98 | |
44 | 0.97 | 1 | s | 3 | 110 111 112 | 0.97 | |
45 | 0.91 | 1 | s | 3 | 145 146 147 | 0.91 | |
46 | 0.71 | 1 | s | 3 | 142 143 144 | 0.71 | |
47 | 0.69 | 1 | s | 3 | 107 108 109 | 0.69 |
Experimental Conditions
Solvent: | D2O |
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Nucleus: | 1H |
Frequency: | 1000 MHz |
Documentation
Document Description | Download | File Size |
---|---|---|
Peak List (TXT) | Download file | 26.7 KB |
Peak Assignments (TXT) | Download file | 2.42 KB |
Spectra Image with Peak Assignments | Not Available | Not Available |
Raw Spectrum Image | Not Available | Not Available |
nmrML File (NMRML) | Download file | 320 KB |
JCAMP-DX File (JDX) | Download file | 113 KB |
Raw Free Induction Decay file for spectral processing | Not Available | Not Available |
Validation Report | Not Available | Not Available |
References
Not Available