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Details
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ChiuZ/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
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Molecule | 60002036 |
Chemical name(s) | Hydroxysafflor yellow A; Safflomin A
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Chemical formula | C27H32O16 |
Molecular weight | 612.534 |
Number of double bond equivalents (DBEs) | 12.0 |
Number of all rings, size of smallest set of smallest rings | 4, 4 |
Canonical name(s) |
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CAS-Number |
78281-02-1
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Additional information |
Links from Unichem:
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Molecule keywords | |
DOI | 10.18716/nmrshiftdb2/60002036 |
13C Spectrum | 60001405
Rating: 5 (1: 1: nmrshiftdb2 quality check: reject (admin), 10: assignment correct (nes_www)) |
Type | 13C |
Measurement conditions
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Temperature [K] | 298 |
Solvent | Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO) |
Field Strength [MHz] | 100.0 |
Assignment Method | 1H standard spectrum; H,H COSY; H,H NOESY; H,C HMQC/HSQC; H,C HMBC; 13C standard spectrum |
Literature |
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Additional comments | |
nmrshiftdb2 quality report |
Download
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Additional information |
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Spectrum categories | ChiuZ |
Type: H,H-COSY 400.0
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
3'
|
2.89 |
3''
|
3.09 |
41
|
2.95 |
7
|
3.32 |
2'
|
3.04 |
7
|
3.11 |
3'
|
3.09 |
1''''
|
3.33 |
1'''
|
3.11 |
7
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4.14 |
7
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3.32 |
5'''
|
3.62 |
7
|
6.78 |
7
|
7.41 |
21
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7.29 |
18
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7.4 |
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Show spectrum in full size
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Type: H,C-HMBC 400.0
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
3''
|
2.89 |
41
|
80.36 |
2'
|
3.04 |
40
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80.82 |
3'
|
3.09 |
1''''
|
69.79 |
3'
|
3.09 |
3''
|
69.95 |
7
|
3.11 |
2'
|
71.11 |
1''''
|
3.33 |
38
|
85.73 |
38
|
3.64 |
7
|
195.44 |
38
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3.64 |
10
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189.23 |
38
|
3.64 |
3'
|
78.39 |
38
|
3.64 |
41
|
80.36 |
38
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3.64 |
1''''
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69.79 |
2''
|
4.19 |
11
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182.78 |
2''
|
4.19 |
10
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189.23 |
2''
|
4.19 |
5''
|
98.94 |
2''
|
4.19 |
26
|
79.28 |
2''
|
4.19 |
40
|
80.82 |
2''
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4.19 |
1'''
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68.69 |
4''''
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4.71 |
7
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195.44 |
4''''
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4.71 |
10
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189.23 |
4''''
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4.71 |
39
|
85.5 |
7
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6.78 |
16
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158.4 |
7
|
6.78 |
20
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127.26 |
7
|
6.78 |
22
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115.55 |
18
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7.29 |
12
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178.94 |
18
|
7.29 |
19
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129.35 |
18
|
7.29 |
21
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123.35 |
7
|
7.41 |
20
|
127.26 |
7
|
7.41 |
19
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129.35 |
7
|
7.41 |
18
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135.56 |
7
|
7.41 |
16
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158.4 |
4'''
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18.61 |
11
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182.78 |
4'''
|
18.61 |
12
|
178.94 |
4'''
|
18.61 |
21
|
123.35 |
4'''
|
18.61 |
6''
|
106.15 |
4'''
|
18.61 |
5''
|
98.94 |
|
Show spectrum in full size
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Type: H,H-NOESY 400.0
|
|
Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
2''
|
4.19 |
4'''
|
18.61 |
7
|
6.78 |
7
|
7.41 |
18
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7.29 |
4'''
|
18.61 |
|
Show spectrum in full size
|
Type: H,C-ed. HSQC 400.0
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
3''
|
2.89 |
3''
|
69.95 |
41
|
2.95 |
41
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80.36 |
40
|
3.03 |
40
|
80.82 |
2'
|
3.04 |
2'
|
71.11 |
3'
|
3.09 |
3'
|
78.39 |
7
|
3.11 |
26
|
79.28 |
7
|
3.32 |
5'''
|
61.15 |
1''''
|
3.33 |
1''''
|
69.79 |
7
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3.37 |
2'''
|
61.74 |
2'''
|
3.59 |
2'''
|
61.74 |
5'''
|
3.62 |
5'''
|
61.15 |
38
|
3.64 |
38
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85.73 |
1'''
|
4.14 |
1'''
|
68.69 |
2''
|
4.19 |
2''
|
73.91 |
7
|
6.78 |
22
|
115.55 |
18
|
7.29 |
18
|
135.56 |
21
|
7.4 |
21
|
123.35 |
7
|
7.41 |
19
|
129.35 |
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Show spectrum in full size
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DOI for this dataset: 10.18716/nmrshiftdb2/60002036/chiuz_dmso-d6
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