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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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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
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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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