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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 29.70 28.0
2 S 205.90 208.6
4 T 44.80 39.28
5 D 47.90 49.27
6 S 203.90 201.0
8 S 143.34 140.8
9 T 64.70 63.0
11 D 137.80 139.9
12 T 35.80 40.74
13 S 40.00 38.72
14 Q 26.20 22.98
15 T 39.30 40.9
16 T 22.59 22.1
17 D 125.24 125.2
18 S 131.42 131.2
19 Q 19.82 19.25
20 Q 20.14 24.15
21 D 44.17 49.86
22 D 111.50 102.7
23 D 137.82 151.04
25 S 163.14 166.14
27 D 114.60 115.88
28 S 158.63 157.72
29 Q 22.96 20.18
30 Q 22.95 26.54





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 28.00 29.7
2 S 208.60 205.9
4 T 39.28 44.8
5 D 49.27 47.9
6 S 201.00 203.9
8 S 140.80 143.34
9 T 63.00 64.7
11 D 139.90 137.8
12 T 40.74 35.8
13 S 38.72 40.0
14 Q 22.98 26.2
15 T 40.90 39.3
16 T 22.10 22.59
17 D 125.20 125.24
18 S 131.20 131.42
19 Q 19.25 19.82
20 Q 24.15 20.14
21 D 49.86 44.17
22 D 102.70 111.5
23 D 151.04 137.82
25 S 166.14 163.14
27 D 115.88 114.6
28 S 157.72 158.63
29 Q 20.18 22.96
30 Q 26.54 22.95






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