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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 1H 900.0
Atom
Mult.(coupling const.)
Meas.
Shift
2'-H
6.713
2-H
4.468
3-H
3.805
4-H
2.647, 2.341
5'-H
6.677
6'-H
6.587
6-H
5.881
8-H
5.678
17-H
18-H
19-H
20-H
21-H
Unassigned shifts in this spectrum:
H 1
Intensity
8.866
0.0
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
95.4
95.1
95.4
2
S
157.7
156.83
157.7
3
D
96.1
95.79
96.1
4
S
157.2
156.59
157.2
5
S
100.6
100.19
100.6
6
S
156.9
156.32
156.9
7
T
28.8
28.13
28.8
8
D
68.3
67.97
68.3
9
D
82.7
82.03
82.7
10
S
132.2
131.49
131.3
11
D
120.0
119.53
119.2
12
D
115.6
115.62
115.35
13
S
145.7
145.42
145.22
14
S
145.6
145.41
145.25
15
D
115.2
114.92
114.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
95.10
95.4
95.4
2
S
156.83
157.7
157.7
3
D
95.79
96.1
96.1
4
S
156.59
157.2
157.2
5
S
100.19
100.6
100.6
6
S
156.32
156.9
156.9
7
T
28.13
28.8
28.8
8
D
67.97
68.3
68.3
9
D
82.03
82.7
82.7
10
S
131.49
132.2
131.3
11
D
119.53
120.0
119.2
12
D
115.62
115.6
115.35
13
S
145.42
145.7
145.22
14
S
145.41
145.6
145.25
15
D
114.92
115.2
114.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
95.40
95.4
95.1
2
S
157.70
157.7
156.83
3
D
96.10
96.1
95.79
4
S
157.20
157.2
156.59
5
S
100.60
100.6
100.19
6
S
156.90
156.9
156.32
7
T
28.80
28.8
28.13
8
D
68.30
68.3
67.97
9
D
82.70
82.7
82.03
10
S
131.30
132.2
131.49
11
D
119.20
120.0
119.53
12
D
115.35
115.6
115.62
13
S
145.22
145.7
145.42
14
S
145.25
145.6
145.41
15
D
114.80
115.2
114.92
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