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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 2.71 (H 29)
5-H
7-H 5.05
11-H 4.02
12-H
13-H
14-H 5.69
15-H
16-H
18-H 1.14
19-H 1.22
21-H
22-H
24-H 7.48
26-H 7.43
27-H 6.44





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 172.65 168.4
3 D 47.04 49.53
4 S 34.80 36.9
5 D 47.41 49.63
6 S 45.75 48.43
7 D 75.20 90.93
9 S 178.95 176.44
10 S 80.80 80.21
11 D 73.12 72.58
12 T 28.15 29.8
13 T 17.50 21.06
14 D 72.30 71.8
15 T 43.60 42.5
16 T 25.10 39.6
18 Q 32.75 13.4
19 Q 17.75 21.79
23 S 124.30 125.4
24 D 140.05 139.3
26 D 143.70 143.7
27 D 108.55 108.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 168.40 172.65
3 D 49.53 47.04
4 S 36.90 34.8
5 D 49.63 47.41
6 S 48.43 45.75
7 D 90.93 75.2
9 S 176.44 178.95
10 S 80.21 80.8
11 D 72.58 73.12
12 T 29.80 28.15
13 T 21.06 17.5
14 D 71.80 72.3
15 T 42.50 43.6
16 T 39.60 25.1
18 Q 13.40 32.75
19 Q 21.79 17.75
23 S 125.40 124.3
24 D 139.30 140.05
26 D 143.70 143.7
27 D 108.30 108.55






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