Spectrum Details
NP-MRD ID:NP0224957
Compound name:3a,5,5a-trihydroxy-9a,11a-dimethyl-1-{1-[5-methyl-6-oxo-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl}-9-oxo-3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate
Spectrum type:1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
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?JSV
Multiplets 
6.56
5.85
5.64
5.13
4.88
4.78
4.67
4.30
4.04
3.99
3.66
3.49
3.14
2.83
2.72
2.30
2.13
2.04
1.88
1.87
1.72
1.61
1.47
1.38
1.17
1.03
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
16.568ddd1
95
6.536.556.556.566.566.576.576.59
25.852d1
96
5.845.86
35.642d1
55
5.645.64
45.132d1
54
5.135.13
54.8810ddd1
60
4.864.864.874.884.884.884.884.894.904.90
64.781s2
63
64
4.78
74.672d1
65
4.674.67
84.304dd1
72
4.294.304.304.31
94.043t2
67
68
4.044.044.04
103.998td1
66
3.983.983.993.993.993.993.994.00
113.664dd1
70
3.663.663.663.66
123.498dd1
90
3.473.473.493.493.493.493.513.51
133.144dd1
74
3.133.143.143.15
142.838m1
56
2.812.822.822.832.832.842.842.85
152.728dd2
61
62
2.702.722.722.742.702.722.722.74
162.302dd2
93
94
2.302.30
172.1312ddd1
87
2.112.112.122.122.122.122.142.142.142.142.152.15
182.041s3
51
52
53
2.04
191.8810ddd2
88
89
1.861.871.881.881.891.901.871.881.881.89
201.871s3
76
77
78
1.87
211.7224ddd2
82
83
1.701.701.701.711.711.711.721.721.721.731.731.741.701.701.711.721.721.721.721.731.741.741.741.75
221.6122ddd1
86
1.591.591.591.591.601.601.601.601.601.611.611.611.611.611.621.621.621.621.631.631.631.63
231.4724m2
84
85
1.451.461.471.471.481.481.491.501.441.451.451.451.461.461.461.471.471.471.481.481.481.491.491.50
241.382s3
79
80
81
1.381.38
251.171s3
97
98
99
1.17
261.032d3
57
58
59
1.031.03
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:800 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file10.3 KB
Peak Assignments (TXT)Download file1.54 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file577 KB
JCAMP-DX File (JDX)Download file171 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available