1H NMR Spectrum (1D, 500 MHz, D2O, predicted) (NP0086562)

Spectrum Details
NP-MRD ID:NP0086562
Compound name:3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
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Multiplets❮ ❯
4.12
3.89
3.49
2.58
2.25
2.12
2.07
2.00
2.00
1.96
1.85
1.83
1.80
1.74
1.71
1.70
1.66
1.59
1.59
1.56
1.47
1.44
1.44
1.39
0.89
0.71
0.69
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
14.1215dd2
67
69
4.114.114.124.124.124.134.134.104.104.114.114.134.134.144.14
23.894dd1
50
3.883.893.893.90
33.4910m1
62
3.463.473.483.483.493.493.503.503.513.52
42.588ddd1
48
2.562.562.572.582.582.592.602.60
52.2513t2
37
38
2.222.232.232.242.242.252.252.252.262.262.272.272.29
62.126ddd1
47
2.092.102.112.132.142.15
72.078ddd1
65
2.042.062.062.062.082.082.082.10
82.0015m1
42
1.981.981.991.991.992.002.002.002.012.012.012.022.022.032.03
92.008ddd1
59
1.971.982.002.002.012.012.022.03
101.9612m1
41
1.921.931.941.941.951.961.961.961.971.981.982.00
111.8520ddd1
66
1.801.801.811.821.821.821.821.831.831.841.841.841.841.851.861.861.911.931.951.97
121.838ddd1
45
1.801.811.821.831.841.841.851.86
131.808ddd1
58
1.781.781.791.801.801.811.821.82
141.7423ddd1
40
1.681.691.701.701.701.711.721.731.731.731.741.741.751.751.751.761.771.771.781.791.791.801.80
151.7134m1
44
1.641.651.651.661.671.681.681.681.691.701.701.701.701.701.711.711.711.711.711.711.721.721.721.721.721.731.741.741.741.751.751.761.771.78
161.708ddd1
64
1.671.691.691.701.701.711.711.72
171.6616m1
60
1.621.631.641.641.641.651.661.661.661.661.671.671.681.681.691.70
181.598ddd1
49
1.561.571.581.581.591.601.611.62
191.598ddd1
46
1.561.571.581.581.591.601.611.62
201.5636dtd1
36
1.511.521.521.521.531.531.531.541.541.541.541.551.551.551.551.551.561.561.561.561.561.571.571.571.571.571.581.581.581.581.591.591.591.601.601.60
211.4716m1
43
1.431.441.451.451.451.461.471.471.471.471.471.491.491.491.491.51
221.4428m1
34
1.401.411.411.421.421.431.431.431.431.431.431.431.441.441.441.441.441.451.451.451.451.461.461.461.461.471.471.48
231.4419dtd1
35
1.411.421.421.421.431.431.431.441.441.441.441.451.451.451.451.461.461.461.47
241.3914m1
61
1.371.371.371.381.381.381.391.391.401.401.401.411.411.41
250.892d3
31
32
33
0.880.90
260.711s3
52
53
54
0.71
270.692s3
55
56
57
0.690.69
Experimental Conditions
Solvent:D2O
Nucleus:1H
Frequency:500 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file19.8 KB
Peak Assignments (TXT)Download file1.18 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file589 KB
JCAMP-DX File (JDX)Download file181 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available