1H NMR Spectrum (1D, 700 MHz, D2O, predicted) (NP0086544)

Spectrum Details
NP-MRD ID:NP0086544
Compound name:3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
Spectrum type:1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
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?JSV
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Multiplets❮ ❯
4.12
4.12
4.05
3.89
2.62
2.25
2.01
2.01
2.00
1.98
1.83
1.83
1.83
1.71
1.59
1.59
1.59
1.56
1.44
1.44
1.39
1.24
0.89
0.71
0.69
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
14.1219ddd1
62
4.094.104.104.114.114.114.124.124.124.124.124.124.134.134.134.134.144.144.15
24.128dd1
50
4.104.104.124.124.124.124.144.14
34.054dd1
64
4.044.054.054.06
43.898ddd1
69
3.883.883.893.893.893.893.903.90
52.628ddd1
68
2.602.612.612.622.622.632.632.64
62.2513t2
37
38
2.232.232.232.242.242.252.252.252.262.262.262.272.28
72.0121m1
41
1.981.981.991.991.992.002.002.002.012.012.012.012.012.022.022.022.022.032.032.042.04
82.0126m1
43
1.971.981.981.991.991.991.991.992.002.002.002.002.012.012.012.012.012.012.022.022.022.022.032.032.032.04
92.0034ddd2
58
59
1.961.981.981.981.991.992.002.002.002.002.002.002.012.012.022.022.022.041.961.971.981.981.991.992.002.002.002.002.012.012.022.022.032.04
101.9831m1
42
1.941.951.951.951.961.961.961.961.961.971.971.971.971.971.981.981.981.981.981.981.991.991.991.991.991.992.002.012.012.022.02
111.8326ddd1
45
1.791.801.801.811.811.821.821.821.831.831.831.831.831.841.841.841.841.851.851.851.851.861.861.861.861.87
121.838ddd1
66
1.821.821.821.831.831.841.841.84
131.8315ddd1
47
1.801.811.821.821.821.821.821.831.831.841.841.841.841.851.86
141.7140m1
44
1.671.671.671.671.681.681.681.691.691.691.691.701.701.701.701.701.701.711.711.711.711.711.711.721.721.721.721.721.731.731.731.741.741.741.741.751.761.761.771.77
151.598ddd1
67
1.581.581.581.581.601.601.601.60
161.5910ddd1
46
1.571.581.581.591.591.591.591.601.601.61
171.5918ddd2
48
49
1.581.581.591.591.601.601.561.561.571.571.581.581.591.591.601.611.611.62
181.5633dtd1
35
1.521.531.531.531.541.541.541.541.541.551.551.551.551.551.561.561.561.561.561.571.571.571.571.571.571.571.581.581.581.581.591.591.59
191.4420dtd1
36
1.421.421.431.431.431.431.441.441.441.441.441.441.441.451.451.451.451.451.461.46
201.4427m1
34
1.411.421.421.421.421.431.431.431.431.431.431.441.441.441.441.441.451.451.451.451.451.451.451.461.461.461.47
211.3930m2
60
61
1.361.361.381.381.381.381.391.401.401.401.421.421.351.361.371.371.371.371.381.391.391.391.391.401.411.411.411.411.421.43
221.2431ddd1
40
1.201.211.211.221.221.221.231.231.231.231.241.241.241.241.241.241.251.251.251.251.251.261.261.261.261.271.271.271.281.281.28
230.892d3
31
32
33
0.890.89
240.711s3
52
53
54
0.71
250.693s3
55
56
57
0.690.690.69
Experimental Conditions
Solvent:D2O
Nucleus:1H
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file24.9 KB
Peak Assignments (TXT)Download file1.2 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file596 KB
JCAMP-DX File (JDX)Download file184 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available