1H NMR Spectrum (1D, 700 MHz, H2O, predicted) (NP0159469)

Spectrum Details
NP-MRD ID:NP0159469
Compound name:(1r,3s,3ar,3bs,5s,5ar,6s,7s,9ar,9br,11ar)-1-[(2r,3e,5r,6r)-6,7-dihydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-dodecahydrocyclopenta[a]phenanthrene-3,3a,3b,5,5a,6,7-heptol
Spectrum type:1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
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?JSV
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Multiplets❮ ❯
6.16
5.16
4.17
4.12
4.08
4.08
3.63
2.83
2.33
2.29
2.27
1.80
1.79
1.79
1.72
1.61
1.57
1.48
1.48
1.29
1.05
1.05
1.03
0.89
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
16.164dd1
43
6.146.156.176.18
25.164dd1
42
5.145.155.175.18
34.1715ddd1
69
4.144.154.154.154.164.164.174.174.174.184.184.194.194.194.20
44.122d1
67
4.114.12
54.0813dd1
58
4.044.064.064.074.074.084.084.084.094.094.104.104.12
64.085dd1
64
4.064.074.084.094.10
73.631s2
52
53
3.63
82.835dq1
44
2.812.822.832.842.85
92.3310m1
41
2.312.312.322.322.332.332.342.342.352.35
102.2911dd1
78
2.272.272.272.282.292.292.292.302.312.312.31
112.278dd2
62
63
2.262.272.272.282.252.272.272.29
121.8027m2
71
72
1.761.781.781.781.791.791.791.801.801.801.811.821.821.771.781.791.791.791.801.801.811.811.811.811.821.831.83
131.7919dtd1
80
1.751.751.771.771.771.781.781.781.791.791.801.801.801.811.811.811.821.831.83
141.798m1
79
1.771.781.781.791.791.801.801.81
151.7225ddd2
73
74
1.691.701.701.711.721.721.721.731.741.741.741.751.701.701.711.721.721.721.721.721.721.731.741.741.75
161.6119ddd1
55
1.591.591.591.601.601.601.601.601.611.611.611.611.621.621.621.621.631.631.64
171.5717ddd2
56
57
1.541.561.561.561.561.571.581.601.601.531.531.561.571.571.581.581.58
181.489ddd1
82
1.461.471.481.481.481.481.491.501.50
191.4811td1
81
1.451.461.461.471.481.481.481.491.501.501.51
201.291s3
48
49
50
1.29
211.051s3
83
84
85
1.05
221.051s3
75
76
77
1.05
231.032d3
45
46
47
1.031.03
240.893t3
38
39
40
0.890.890.89
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file12.7 KB
Peak Assignments (TXT)Download file1.34 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file579 KB
JCAMP-DX File (JDX)Download file170 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available