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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
3-H
6-H 3.43 (H 34)
7-H
8-H 1.92
9-H
10-H
11-H
12-H
13-H 2.74
14-H 0.82
15-H 3.91
16-H 2.50
17-H 5.57
19-H 1.03
20-H 0.98
21-H
22-H 2.10
23-H 2.62
26-H
27-H
28-H 1.74
31-H 0.95
32-H
33-H





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 S 45.5 45.28
2 S 49.1 48.83
3 D 48.1 47.69
4 S 20.8 23.43
5 S 30.3 24.6
6 D 38.8 49.63
7 T 23.4 23.63
8 T 28.2 26.79
9 D 52.5 52.41
10 T 25.9 27.72
11 T 35.8 34.61
12 T 33.2 34.08
13 T 26.2 26.43
14 T 29.7 29.73
15 D 72.5 76.48
16 T 37.7 35.41
17 D 70.7 74.14
18 S 55.7 49.11
19 Q 18.3 18.11
20 Q 19.4 19.28
21 D 36.0 36.19
22 T 32.1 31.94
23 T 32.0 31.69
24 S 176.5 175.83
28 Q 9.7 22.75
29 S 180.0 182.22
31 Q 18.1 18.86





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 S 45.28 45.5
2 S 48.83 49.1
3 D 47.69 48.1
4 S 23.43 20.8
5 S 24.60 30.3
6 D 49.63 38.8
7 T 23.63 23.4
8 T 26.79 28.2
9 D 52.41 52.5
10 T 27.72 25.9
11 T 34.61 35.8
12 T 34.08 33.2
13 T 26.43 26.2
14 T 29.73 29.7
15 D 76.48 72.5
16 T 35.41 37.7
17 D 74.14 70.7
18 S 49.11 55.7
19 Q 18.11 18.3
20 Q 19.28 19.4
21 D 36.19 36.0
22 T 31.94 32.1
23 T 31.69 32.0
24 S 175.83 176.5
28 Q 22.75 9.7
29 S 182.22 180.0
31 Q 18.86 18.1






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