1H NMR Spectrum (1D, 400 MHz, H2O, predicted) (NP0266350)

Spectrum Details
NP-MRD ID:NP0266350
Compound name:[(1r,3as,3bs,5r,5ar,7s,9ar,9bs,11ar)-5,5a,7-trihydroxy-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-tetradecahydrocyclopenta[a]phenanthren-9a-yl]methyl acetate
Spectrum type:1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
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?JSV
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Multiplets❮ ❯
4.89
4.77
4.13
3.49
2.91
2.25
2.20
2.12
2.07
1.88
1.73
1.64
1.59
1.56
1.51
1.50
1.39
1.37
1.32
1.16
1.05
0.95
0.95
0.66
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
14.8911m1
60
4.844.854.864.874.894.894.894.914.924.934.94
24.771s2
36
37
4.77
34.131s2
66
67
4.13
43.497dd1
55
3.463.463.483.493.503.523.52
52.918dd2
58
59
2.872.902.922.952.892.902.922.93
62.257m1
79
2.202.222.232.252.272.282.30
72.2023ddd2
64
65
2.152.172.172.182.202.202.202.222.232.232.242.252.172.172.182.192.202.202.202.202.212.222.23
82.123t2
38
39
2.102.122.14
92.072s3
68
69
70
2.072.07
101.8814ddd2
53
54
1.831.851.861.881.881.901.911.931.841.861.881.891.901.92
111.7332ddd2
74
75
1.671.691.691.711.731.731.731.741.751.761.761.771.801.671.681.681.691.691.701.701.711.721.731.731.731.731.741.751.761.771.781.79
121.6442m2
47
48
1.561.581.581.591.601.611.621.621.631.631.651.651.661.671.681.681.691.691.711.721.571.591.601.611.621.621.631.631.631.641.641.641.651.651.651.661.661.671.681.691.691.72
131.5926ddd1
71
1.471.511.511.541.561.561.571.571.581.581.591.591.601.601.601.611.621.621.631.631.631.631.651.661.661.67
141.5624m2
62
63
1.501.521.531.541.541.551.551.571.571.581.581.591.621.521.531.551.551.571.571.571.591.601.601.63
151.5113td2
40
41
1.491.491.501.511.491.491.501.501.511.521.521.521.53
161.5037m2
72
73
1.441.451.481.481.491.491.491.501.511.511.511.521.521.541.541.551.401.421.431.451.451.461.461.471.491.491.491.501.511.521.531.541.541.551.561.561.57
171.3913m1
52
1.341.361.371.371.381.381.391.401.401.401.411.421.44
181.3714m1
42
1.321.331.341.341.351.361.371.371.371.381.391.401.401.42
191.3239m2
49
50
1.241.261.281.281.291.291.301.311.311.321.331.331.331.351.351.361.361.371.391.401.261.281.291.301.301.301.311.311.311.321.321.321.331.331.341.341.351.371.37
201.1618ddd1
51
1.111.111.121.141.141.141.151.151.161.171.171.171.181.181.181.191.201.21
211.054q6
80
81
82
83
84
85
1.061.061.031.05
220.952d3
43
44
45
0.940.96
230.956ddd1
46
0.920.930.940.960.970.98
240.661s3
76
77
78
0.66
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:400 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file20.1 KB
Peak Assignments (TXT)Download file1.38 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file590 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