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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
40-H 5.20
37-H 6.28
35-H
34-H 1.68
32-H
31-H 1.32
30-H 3.50
28-H 1.43
27-H
25-H 6.36
24-H
20-H 5.12
18-H
17-H
16-H
15-H
13-H
12-H 3.79
9-H
7-H
6-H
5-H
3-H 5.02 (H 43)





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
40 T 72.10 72.17
38 S 174.50 174.09
37 D 114.50 116.2
36 S 160.20 141.74
34 Q 17.60 21.79
31 Q 21.40 21.13
30 Q 57.90 60.2
28 Q 21.40 21.65
26 S 137.50 155.52
25 D 136.00 129.74
24 T 43.60 37.62
23 S 82.40 85.6
22 S 67.30 48.43
21 S 213.00 213.9
20 D 73.55 74.55
18 D 68.40 70.82
17 T 35.20 35.41
16 D 82.90 73.03
15 D 122.00 129.85
14 S 140.00 147.38
13 T 30.15 37.24
12 D 56.90 56.05
10 S 63.50 70.41
9 D 49.57 51.05
8 S 40.94 39.81
7 T 40.34 41.0
6 D 66.90 76.65
5 D 70.50 72.23
3 D 97.50 103.3
2 S 93.00 97.76





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
40 T 72.17 72.1
38 S 174.09 174.5
37 D 116.20 114.5
36 S 141.74 160.2
34 Q 21.79 17.6
31 Q 21.13 21.4
30 Q 60.20 57.9
28 Q 21.65 21.4
26 S 155.52 137.5
25 D 129.74 136.0
24 T 37.62 43.6
23 S 85.60 82.4
22 S 48.43 67.3
21 S 213.90 213.0
20 D 74.55 73.55
18 D 70.82 68.4
17 T 35.41 35.2
16 D 73.03 82.9
15 D 129.85 122.0
14 S 147.38 140.0
13 T 37.24 30.15
12 D 56.05 56.9
10 S 70.41 63.5
9 D 51.05 49.57
8 S 39.81 40.94
7 T 41.00 40.34
6 D 76.65 66.9
5 D 72.23 70.5
3 D 103.30 97.5
2 S 97.76 93.0






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