1H NMR Spectrum (1D, 700 MHz, H2O, predicted) (NP0218617)

Spectrum Details
NP-MRD ID:NP0218617
Compound name:(2s,3s,4s,5r,6r)-6-{[(2r,3r,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-hydroxy-2-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate
Spectrum type:1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
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?JSV
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Multiplets❮ ❯
8.01
8.01
6.92
6.43
6.23
5.41
5.28
5.05
4.83
4.35
4.24
4.21
4.05
4.01
3.91
3.88
3.79
3.62
3.52
3.51
3.51
2.03
1.27
1.18
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
18.019ddd1
73
8.008.008.018.018.018.018.028.028.02
28.017ddd1
69
8.008.008.018.018.018.028.02
36.9215ddd2
70
72
6.916.916.926.926.936.936.916.916.916.926.926.936.936.936.93
46.432d1
74
6.436.43
56.232d1
76
6.236.23
65.414dd1
59
5.415.415.415.41
75.282d1
87
5.275.29
85.054q1
68
5.045.055.055.06
94.832d1
64
4.834.83
104.354dd1
86
4.344.354.354.36
114.244dd1
84
4.234.244.244.25
124.212d2
65
66
4.214.21
134.054dd1
94
4.044.054.054.06
144.018m1
88
3.994.004.004.014.014.024.024.03
153.918m1
60
3.903.903.903.913.913.923.923.92
163.884dd1
82
3.873.883.883.89
173.794dd1
96
3.783.793.793.80
183.626dt1
67
3.613.613.623.623.633.63
193.524dd1
80
3.523.523.523.52
203.514dd1
92
3.503.513.513.52
213.514dd1
78
3.513.513.513.51
222.031s3
56
57
58
2.03
231.272d3
89
90
91
1.271.27
241.182d3
61
62
63
1.181.18
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file6.36 KB
Peak Assignments (TXT)Download file1.43 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file571 KB
JCAMP-DX File (JDX)Download file165 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available