Spectrum Details
NP-MRD ID:NP0227983
Compound name:(1r,3as,3bs,4r,9s,9ar,9bs,11ar)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate
Spectrum type:1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
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?JSV
Multiplets 
5.73
4.88
4.77
4.19
2.77
2.52
2.40
2.27
2.11
2.05
2.01
1.77
1.62
1.62
1.61
1.61
1.58
1.50
1.48
1.40
1.25
1.05
0.68
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
15.731s1
46
5.73
24.888ddd1
70
4.864.874.874.884.884.894.894.90
34.773dd1
43
4.774.774.77
44.198ddd1
49
4.174.184.194.194.194.194.204.21
52.772dd2
44
45
2.772.77
62.528dd2
47
48
2.502.522.522.542.512.522.522.53
72.408ddd1
51
2.392.392.392.402.402.412.412.42
82.278dd2
71
72
2.252.272.272.292.262.272.272.28
92.1116m1
66
2.092.102.102.102.112.112.112.112.112.112.112.112.122.122.122.13
102.051s6
79
80
81
82
83
84
2.05
112.011s3
40
41
42
2.01
121.7725ddd2
55
56
1.741.751.761.761.761.761.771.771.771.781.781.781.791.801.761.761.761.771.771.771.771.771.781.781.79
131.6243m2
63
64
1.591.601.601.601.611.611.621.621.621.621.621.631.631.631.631.641.641.641.651.591.591.601.601.601.601.611.611.611.621.621.621.621.621.621.621.631.631.631.631.641.641.641.65
141.623s3
76
77
78
1.621.621.62
151.6120ddd1
60
1.591.591.591.601.601.601.601.601.611.611.611.611.621.621.621.621.631.631.631.63
161.6119ddd1
52
1.591.591.591.601.601.601.601.611.611.611.611.611.611.621.621.621.621.631.63
171.5824ddd1
65
1.561.561.561.571.571.571.571.571.581.581.581.581.581.581.581.581.591.591.591.591.601.601.601.61
181.5029m2
53
54
1.471.481.481.481.481.491.491.491.501.501.501.501.501.511.511.511.521.521.521.531.481.491.501.501.501.501.501.511.52
191.4852m2
61
62
1.451.461.461.461.471.471.471.481.481.481.481.481.481.491.491.491.491.501.501.501.501.501.521.441.451.451.451.461.471.471.471.471.481.481.481.481.481.481.481.481.481.481.491.491.491.501.501.501.511.511.511.53
201.401s3
73
74
75
1.40
211.251s3
85
86
87
1.25
221.052d3
67
68
69
1.051.05
230.681s3
57
58
59
0.68
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:1000 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file16.2 KB
Peak Assignments (TXT)Download file1.39 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file585 KB
JCAMP-DX File (JDX)Download file173 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available