1H NMR Spectrum (1D, 200 MHz, D2O, predicted) (NP0085172)

Spectrum Details
NP-MRD ID:NP0085172
Compound name:3,26-Dihydroxycholest-5-ene-16,22-dione
Spectrum type:1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
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?JSV
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Multiplets❮ ❯
6.65
3.78
3.60
3.49
2.58
2.58
2.43
2.23
2.17
2.11
2.10
2.00
1.95
1.91
1.85
1.84
1.81
1.74
1.63
1.59
1.49
1.45
1.38
1.33
1.21
1.00
0.92
0.69
0.69
0.69
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
16.6511dd1
54
6.576.596.636.646.646.656.666.666.676.716.73
23.784dd1
45
3.743.773.803.83
33.604dd1
44
3.553.583.613.64
43.4921m1
57
3.393.403.423.443.453.463.473.473.483.493.503.503.513.513.523.523.533.543.563.573.59
52.5810dd1
49
2.502.502.532.572.582.592.602.642.672.67
62.586dt1
36
2.512.552.582.592.622.65
72.438m1
35
2.372.402.402.432.432.462.472.50
82.236dt1
37
2.162.192.222.232.262.30
92.174dd2
55
56
2.162.182.162.18
102.1140ddd2
52
53
1.972.052.052.062.062.072.092.102.112.122.132.142.142.182.182.202.282.022.032.042.052.052.062.072.092.102.112.112.122.122.122.132.132.142.152.172.182.192.202.22
112.1033m1
51
1.821.931.961.991.992.002.022.022.032.032.042.052.062.072.082.092.102.112.122.132.132.152.162.172.182.182.192.202.212.232.252.272.27
122.0019m1
60
1.831.871.931.941.951.981.981.991.992.012.022.032.032.032.052.072.112.122.13
131.9534m1
68
1.741.781.801.811.821.821.831.831.851.861.871.871.891.891.911.911.951.951.962.002.002.012.012.022.052.052.062.062.072.112.132.142.142.15
141.9126ddd1
66
1.731.751.781.791.801.811.811.841.861.861.891.891.921.931.941.941.951.961.982.002.012.012.032.042.062.09
151.859dd1
48
1.791.801.821.821.851.871.871.891.92
161.8436ddd1
50
1.681.701.721.721.741.751.761.771.771.781.791.791.791.801.811.821.831.851.851.861.871.871.881.881.891.901.911.911.921.931.941.941.951.961.971.98
171.8121m1
40
1.711.731.741.741.761.771.771.791.801.801.831.831.831.851.861.861.861.891.891.891.92
181.749ddd1
61
1.651.691.701.731.741.741.771.791.83
191.6315m1
59
1.431.461.581.591.621.621.631.641.661.671.671.681.711.711.75
201.592d1
47
1.571.60
211.4932m1
67
1.231.271.311.331.361.391.401.411.421.431.431.451.461.481.481.491.491.511.511.521.531.541.551.561.581.611.621.631.681.681.701.75
221.459dtd1
38
1.371.401.401.431.441.461.491.501.53
231.389dtd1
39
1.301.331.331.361.391.401.431.431.46
241.3334ddd2
69
70
1.121.171.191.221.231.261.281.301.301.321.321.341.361.371.421.441.491.491.511.161.201.241.261.261.281.301.301.341.381.401.421.431.501.54
251.216dt3
41
42
43
1.191.231.191.231.191.23
261.0018ddd1
62
0.800.800.890.900.910.950.970.990.991.001.001.041.051.051.151.191.201.21
270.925quint3
32
33
34
0.940.900.940.900.94
280.692s2
63
64
0.690.69
290.692s3
71
72
73
0.690.69
300.691s1
65
0.69
Experimental Conditions
Solvent:D2O
Nucleus:1H
Frequency:200 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file23.4 KB
Peak Assignments (TXT)Download file1.27 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file597 KB
JCAMP-DX File (JDX)Download file185 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available