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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
25-H
5.35 (H 27), 6.05 (H 28)
23-H
22-H
1.0
21-H
0.95
19-H
10.03 (H 29)
15-H
4.60
14-H
13-H
3.12
12-H
3.45
11-H
5.10
10-H
9-H
8-H
6-H
2.90
4-H
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
25
T
117.10
118.16
22
Q
27.57
26.85
21
Q
28.45
26.85
19
D
204.23
202.02
17
S
150.60
151.4
16
S
200.70
200.0
15
D
65.23
65.6
14
T
42.00
42.3
13
D
35.20
35.1
12
T
34.81
34.4
11
T
70.79
71.91
10
T
30.93
35.15
9
T
18.60
22.98
8
T
41.82
35.1
7
S
40.30
33.86
6
D
62.92
40.7
5
S
42.70
40.51
4
D
43.64
44.2
3
S
56.70
54.4
2
S
169.50
171.6
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
25
T
118.16
117.1
22
Q
26.85
27.57
21
Q
26.85
28.45
19
D
202.02
204.23
17
S
151.40
150.6
16
S
200.00
200.7
15
D
65.60
65.23
14
T
42.30
42.0
13
D
35.10
35.2
12
T
34.40
34.81
11
T
71.91
70.79
10
T
35.15
30.93
9
T
22.98
18.6
8
D
35.10
41.82
7
S
33.86
40.3
6
D
40.70
62.92
5
S
40.51
42.7
4
D
44.20
43.64
3
S
54.40
56.7
2
S
171.60
169.5
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