1H NMR Spectrum (1D, 700 MHz, D2O, predicted) (NP0015762)

Spectrum Details
NP-MRD ID:NP0015762
Compound name:3,9,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
Spectrum type:1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
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?JSV
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Multiplets❮ ❯
7.22
5.20
4.23
3.50
3.49
3.38
2.12
2.12
2.12
2.09
2.03
2.00
2.00
2.00
1.83
1.77
1.73
1.70
1.59
1.47
1.39
1.26
1.13
1.01
0.92
0.72
0.71
0.68
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
17.222d1
57
7.227.22
25.2015ddd1
38
5.185.195.195.195.195.205.205.205.205.205.215.215.215.215.22
34.2322dtd1
40
4.214.224.224.224.224.224.224.224.234.234.234.234.234.234.244.244.244.244.244.244.244.25
43.504dd1
42
3.493.503.503.51
53.4912m1
61
3.473.483.483.483.493.493.493.493.503.503.503.51
63.384dd1
41
3.373.383.383.39
72.1210ddd1
39
2.102.112.112.112.122.122.132.132.132.14
82.1235m1
37
2.092.092.102.102.102.112.112.112.112.112.112.112.112.112.122.122.122.122.122.122.122.132.132.132.132.132.132.132.132.132.142.142.142.152.15
92.1232dt1
51
2.092.092.092.102.102.102.102.102.102.112.112.112.112.122.122.122.122.122.122.122.132.132.132.132.142.142.142.142.142.152.152.15
102.094dd1
58
2.082.092.102.10
112.0315ddd2
72
73
1.981.992.002.002.022.022.141.981.992.002.002.012.022.152.18
122.0020m1
55
1.971.981.981.991.991.991.992.002.002.002.012.012.012.012.022.022.022.022.032.03
132.008ddd1
59
1.981.991.992.002.002.012.012.02
142.0020m1
64
1.971.971.981.981.981.991.991.992.002.002.002.002.002.012.012.022.022.022.032.04
151.838ddd1
56
1.821.821.821.831.831.841.841.84
161.7715ddd1
74
1.731.731.741.741.741.751.751.761.761.771.771.821.831.851.86
171.7319ddd2
65
66
1.731.741.751.751.761.761.771.621.641.641.661.721.731.741.751.751.761.771.78
181.7010td1
60
1.601.621.681.691.691.711.711.721.791.79
191.5910ddd1
71
1.571.571.581.581.581.581.591.601.611.61
201.4725m2
52
53
1.431.451.451.451.461.461.471.471.481.481.491.491.491.511.511.451.461.471.471.471.471.481.491.501.51
211.3916m1
63
1.361.371.381.381.381.391.391.391.391.391.401.401.401.401.411.42
221.261s3
47
48
49
1.26
231.131s3
44
45
46
1.13
241.0121m1
54
0.960.960.970.980.980.980.980.991.001.001.001.001.001.011.021.021.021.031.041.041.17
250.9224m3
34
35
36
0.900.900.910.910.920.920.930.940.900.940.900.900.910.910.920.920.920.920.920.920.930.930.940.94
260.725quint2
75
76
0.710.730.700.720.74
270.711s3
67
68
69
0.71
280.684t1
77
0.670.680.690.70
Experimental Conditions
Solvent:D2O
Nucleus:1H
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file20.6 KB
Peak Assignments (TXT)Download file1.28 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file590 KB
JCAMP-DX FileNot AvailableNot Available
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available