Spectrum Details
NP-MRD ID:NP0154695
Compound name:(1s,3s,3as,3br,5r,5ar,9ar,9bs,11ar)-1-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3a,5,5a-trihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate
Spectrum type:1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
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?JSV
Multiplets 
6.56
5.85
5.20
4.41
3.49
2.72
2.30
2.13
2.11
2.07
1.92
1.90
1.88
1.87
1.61
1.61
1.48
1.47
1.17
1.05
0.85
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
16.568ddd1
75
6.536.556.556.566.566.576.576.59
25.852d1
76
5.845.86
35.208dd1
42
5.185.185.195.205.205.215.225.22
44.4110ddd1
50
4.384.394.404.404.414.414.424.424.434.44
53.498dd1
70
3.473.473.483.493.493.503.513.51
62.728dd2
51
52
2.692.712.732.752.702.712.732.74
72.308dd2
73
74
2.282.302.302.322.272.302.302.33
82.1312ddd1
67
2.102.112.122.122.122.132.132.142.142.142.152.16
92.1116m1
46
2.092.102.102.102.102.102.112.112.112.112.122.122.122.122.122.13
102.073s3
39
40
41
2.072.072.07
111.921s3
53
54
55
1.92
121.9014ddd2
43
44
1.871.881.891.901.901.911.921.931.881.891.901.901.911.92
131.8814ddd2
68
69
1.851.861.871.881.881.891.901.911.861.871.881.881.891.90
141.871s3
56
57
58
1.87
151.6116ddd1
45
1.591.591.601.601.601.611.611.611.611.611.611.611.621.621.631.63
161.6147ddd1
66
1.551.561.561.561.571.571.581.581.581.581.591.591.591.591.591.591.591.601.601.601.601.611.611.611.611.611.621.621.621.621.621.631.631.631.631.631.641.641.641.641.641.651.651.651.661.661.66
171.4837ddd2
62
63
1.441.451.461.461.461.471.471.471.471.471.481.481.481.481.491.491.491.501.501.511.511.521.451.461.461.471.481.481.481.481.481.491.491.491.501.511.52
181.4731m2
64
65
1.421.431.441.451.461.461.471.471.481.481.481.491.491.501.511.431.441.441.451.451.461.461.461.471.471.471.481.481.481.501.51
191.171s3
77
78
79
1.17
201.052d3
47
48
49
1.051.05
210.852s3
59
60
61
0.850.85
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file14.2 KB
Peak Assignments (TXT)Download file1.32 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file581 KB
JCAMP-DX File (JDX)Download file172 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available