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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
hose_lotusv7
1 S 173.04 0.48 173.04
2 D 50.80 1.0 50.8
3 D 52.07 0.95 52.07
4 S 49.35 0.62 49.35
5 S 53.02 0.44 53.02
6 S 90.47 0.51 90.47
7 T 44.27 0.97 44.27
8 T 42.69 0.91 42.69
9 D 50.40 0.97 50.4
10 Q 14.44 0.96 14.44
11 D 68.40 0.92 68.4
12 S 178.61 0.34 178.61
13 D 131.41 0.85 131.41
14 S 76.54 0.57 76.54
15 S 157.68 0.51 157.68
16 T 16.50 0.91 16.5
17 D 133.23 0.84 133.23
18 T 38.73 0.98 38.73
19 T 106.11 0.87 106.11





Spectral Data   Additional Data   Download  
Type: 1H 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
2-H 2.49 0.62
3-H 3.07 0.16
7-H 1.70, 1.64 0.27;0.28
8-H 2.17, 2.14 0.3;0.25
9-H 1.85 0.1
10-H 1.06 1.0
11-H 3.86 0.38
13-H 6.32 0.17
16-H 1.65, 1.62 0.04;0.23
17-H 5.80 0.09
18-H 1.90, 1.61 0.17;0.46
19-H 5.11, 4.83 0.4;0.4
21-H
24-H 4.81 0.29
25-H 0.98 0.05





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1 S 173.04 173.04
2 D 50.80 50.8
3 D 52.07 52.07
4 S 49.35 49.35
5 S 53.02 53.02
6 S 90.47 90.47
7 T 44.27 44.27
8 T 42.69 42.69
9 D 50.40 50.4
10 Q 14.44 14.44
11 D 68.40 68.4
12 S 178.61 178.61
13 D 131.41 131.41
14 S 76.54 76.54
15 S 157.68 157.68
16 T 16.50 16.5
17 D 133.23 133.23
18 T 38.73 38.73
19 T 106.11 106.11






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