Home
Current usage is:
Registered Users: 2390
Structures: 271630
Spectra: Measured 68118, calculated 396582
Username:
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  
  Search Results  
  You did not do a search!  
     
  Bookmarks  
  You could bookmark structures if you were logged in!  
     
  Details  
 


This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 150.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
23' D 130.0 130.72129.65
23 D 129.3 130.32129.65
22' D 128.0 129.74128.33
22 D 127.8 129.71128.33
21' D 126.2 127.93126.11
21 D 126.1 127.92126.11
20' D 128.0 129.74128.33
20 D 127.8 129.71128.33
19' D 130.0 130.72129.65
19 D 129.3 130.32129.65
18' S 134.7 137.75135.85
18 S 137.0 137.21135.85
17' T 39.5 36.4436.95
17 T 34.4 36.8836.95
16' S 164.6 169.31166.35
16 S 168.1 168.46166.35
15' D 56.9 57.3556.35
15 D 55.8 57.0956.35
13' S 167.7 169.81168.3
13 S 168.9 169.77168.3
12' T 36.2 36.7135.45
12 T 34.7 36.7135.45
11' D 56.0 58.3256.25
11 D 56.5 58.3256.25
9' S 151.3 150.33150.2
9 S 149.1 150.33150.2
8' D 108.8 110.81108.9
8 D 109.0 110.5108.9
7' D 129.0 130.51128.97
7 D 128.5 130.2128.97
6' D 117.7 120.68117.7
6 D 117.7 119.6117.7
5' D 124.3 126.21124.7
5 D 125.1 126.21124.7
4' S 126.7 131.84133.2
4 S 139.7 131.84133.2
3' S 58.3 60.7758.5
3 S 58.7 59.9158.5
2' D 76.9 80.4277.9
2 D 78.9 80.4277.9

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 1H 600.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
24-H
23-H m 7.13
23'-H m 7.01
22-H m 7.06
22'-H m 6.85
21-H m 7.06
21'-H m 6.84
20-H m 7.06
20'-H m 6.85
19-H m 7.13
19'-H m 7.01
17-H m 2.97
17'-H dd;dd 2.74, 3.01
15-H br t 4.21
15'-H m 3.99
14-H s 7.75
14'-H d 8.10
12-H dd;dd 2.23, 2.82
12'-H t;m 2.15, 2.25
11-H br t 4.03
11'-H dd 1.83
8-H d 6.65
8'-H d 6.74
7-H m 7.0
7'-H m 7.13
6-H td 6.59
6'-H td 6.63
5-H m 7.06
5'-H d 7.21
4-H
2-H br s 4.83
2'-H br s 4.83

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
50 D 130.72 130.0129.65
49 D 130.72 130.0129.65
48 T 36.44 39.536.95
47 S 169.31 164.6166.35
46 D 80.42 76.977.9
45 D 120.68 117.7117.7
44 S 131.84 126.7133.2
43 D 110.81 108.8108.9
40 D 130.32 129.3129.65
39 D 129.71 127.8128.33
38 D 127.92 126.1126.11
37 D 129.71 127.8128.33
36 D 130.32 129.3129.65
35 S 137.21 137.0135.85
34 T 36.88 34.436.95
33 S 169.77 168.9168.3
31 D 57.09 55.856.35
30 S 168.46 168.1166.35
29 T 36.71 34.735.45
28 D 58.32 56.556.25
26 S 59.91 58.758.5
25 D 80.42 78.977.9
23 D 130.20 128.5128.97
22 D 119.60 117.7117.7
21 D 126.21 125.1124.7
20 S 131.84 139.7133.2
19 S 150.33 149.1150.2
18 D 110.50 109.0108.9
15 D 129.74 128.0128.33
14 D 127.93 126.2126.11
13 D 129.74 128.0128.33
12 S 137.75 134.7135.85
11 S 169.81 167.7168.3
9 D 57.35 56.956.35
8 T 36.71 36.235.45
7 D 58.32 56.056.25
5 S 60.77 58.358.5
3 D 130.51 129.0128.97
2 D 126.21 124.3124.7
1 S 150.33 151.3150.2

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
50 D 129.65 130.0130.72
49 D 129.65 130.0130.72
48 T 36.95 39.536.44
47 S 166.35 164.6169.31
46 D 77.90 76.980.42
45 D 117.70 117.7120.68
44 S 133.20 126.7131.84
43 D 108.90 108.8110.81
40 D 129.65 129.3130.32
39 D 128.33 127.8129.71
38 D 126.11 126.1127.92
37 D 128.33 127.8129.71
36 D 129.65 129.3130.32
35 S 135.85 137.0137.21
34 T 36.95 34.436.88
33 S 168.30 168.9169.77
31 D 56.35 55.857.09
30 S 166.35 168.1168.46
29 T 35.45 34.736.71
28 D 56.25 56.558.32
26 S 58.50 58.759.91
25 D 77.90 78.980.42
23 D 128.97 128.5130.2
22 D 117.70 117.7119.6
21 D 124.70 125.1126.21
20 S 133.20 139.7131.84
19 S 150.20 149.1150.33
18 D 108.90 109.0110.5
15 D 128.33 128.0129.74
14 D 126.11 126.2127.93
13 D 128.33 128.0129.74
12 S 135.85 134.7137.75
11 S 168.30 167.7169.81
9 D 56.35 56.957.35
8 T 35.45 36.236.71
7 D 56.25 56.058.32
5 S 58.50 58.360.77
3 D 128.97 129.0130.51
2 D 124.70 124.3126.21
1 S 150.20 151.3150.33

Double click upper part to get resizeable window!




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 501 users, 5165940 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.