Spectrum Details
NP-MRD ID:NP0233372
Compound name:1-(3-{1-[4-(acetyloxy)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl}-5,6,6-trimethyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)-2-(methylsulfanyl)-2-oxoethyl acetate
Spectrum type:1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
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?JSV
Multiplets 
7.41
6.15
6.08
4.88
4.88
4.52
2.52
2.43
2.40
2.27
2.11
2.05
2.04
2.02
1.77
1.63
1.63
1.60
1.56
1.50
1.50
1.40
1.20
1.05
0.68
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
17.412d1
77
7.397.43
26.152d1
78
6.136.17
36.081s1
79
6.08
44.888ddd1
54
4.834.854.864.874.894.904.914.93
54.886ddd1
82
4.874.874.884.884.894.89
64.521s1
50
4.52
72.522dd2
80
81
2.512.53
82.431s3
47
48
49
2.43
92.4016ddd1
65
2.272.282.302.312.372.372.392.402.402.412.432.432.502.502.522.53
102.278dd2
86
87
2.242.262.282.302.212.262.282.33
112.1116m1
55
2.062.082.082.082.102.102.102.102.122.122.122.132.142.142.142.16
122.051s6
91
92
93
94
95
96
2.05
132.041s3
51
52
53
2.04
142.021s3
83
84
85
2.02
151.7725ddd2
69
70
1.731.731.751.751.771.771.781.791.811.811.861.711.711.721.751.761.771.771.771.771.801.811.821.821.84
161.6330ddd1
66
1.521.551.561.561.571.581.581.591.601.601.611.621.621.621.631.631.631.641.651.661.661.671.671.671.681.681.691.691.701.72
171.6386m2
60
61
1.501.521.521.521.521.531.531.541.551.551.561.561.571.581.581.591.601.601.601.611.611.611.621.621.621.631.631.641.641.651.651.651.661.661.661.661.671.671.671.681.681.691.691.691.701.701.701.711.711.711.731.731.741.751.541.541.551.551.561.571.571.581.591.591.591.601.601.601.611.611.611.621.621.631.631.641.651.671.671.681.681.691.691.701.701.71
181.6042ddd1
64
1.491.511.521.531.531.541.541.541.541.551.561.571.571.571.581.591.591.591.591.601.601.601.601.611.621.621.631.631.641.641.641.641.651.651.651.661.671.681.681.691.701.70
191.5642ddd1
59
1.471.471.471.481.501.501.511.511.511.521.521.531.531.531.541.541.551.551.551.561.561.571.571.571.581.581.591.591.601.601.601.601.611.611.621.621.621.631.641.651.651.66
201.5029m2
67
68
1.441.451.471.481.491.491.511.511.511.531.531.531.551.571.421.441.451.461.461.481.511.511.511.531.551.551.551.571.57
211.5096m2
62
63
1.381.391.401.401.401.411.411.421.431.451.461.461.471.471.471.471.481.481.491.491.501.501.501.521.521.531.531.541.541.541.551.551.561.561.561.571.571.581.581.591.591.601.601.611.611.361.361.381.381.381.391.401.401.411.411.411.421.421.431.441.441.451.451.461.461.471.471.471.481.481.491.491.501.501.511.511.521.521.531.531.541.541.541.541.551.551.561.561.571.571.581.581.591.601.621.63
221.401s3
88
89
90
1.40
231.201s3
74
75
76
1.20
241.054q3
56
57
58
1.061.041.041.06
250.681s3
71
72
73
0.68
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:300 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file23.7 KB
Peak Assignments (TXT)Download file1.48 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file597 KB
JCAMP-DX File (JDX)Download file186 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available