Table 2.
position | 1 | 2 | 3 | 4 | 5 | |||||
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δCa,b | type | δCa,b | type | δCa,b | type | δCa,c | type | δCa,c | type | |
1 | 172.5 | C | 172.5 | C | 172.5 | C | 172.6 | C | 172.4 | C |
2 | 43.0 | CH2 | 43.0 | CH2 | 43.0 | CH2 | 43.4 | CH2 | 42.8 | CH2 |
3 | 68.1 | CH | 68.1 | CH | 68.0 | CH | 69.0 | CH | 68.3 | CH |
4 | 37.1 | CH2 | 37.1 | CH2 | 37.1 | CH2 | 37.5 | CH2 | 37.0 | CH2 |
5 | 20.8 | CH2 | 20.7 | CH2 | 20.8 | CH2 | 29.8 | CH2 | 20.5 | CH2 |
6 | 43.8 | CH2 | 43.7 | CH2 | 43.8 | CH2 | 36.8 | CH2 | 43.7 | CH2 |
7 | 210.5 | C | 210.4 | C | 210.5 | C | 71.2 | CH | 210.0 | C |
8 | 47.8 | CH2 | 47.7 | CH2 | 47.7 | CH2 | 45.4 | CH2 | 47.8 | CH2 |
9 | 27.4 | CH | 27.3 | CH | 27.3 | CH | 31.1 | CH | 27.4 | CH |
9-Me | 19.6 | CH3 | 19.6 | CH3 | 19.7 | CH3 | 19.3 | CH3 | 19.4 | CH3 |
10 | 146.3 | C | 146.3 | C | 146.3 | C | 146.8 | C | 146.1 | C |
11 | 133.5 | CH | 133.5 | CH | 133.5 | CH | 133.8 | CH | 133.2 | CH |
12 | 154.1 | C | 154.1 | C | 154.1 | C | 154.4 | C | 153.8 | C |
13 | 130.1 | C | 130.0 | C | 129.8 | C | NDd | NDd | ||
14 | 137.3 | CH | 137.3 | CH | 137.3 | CH | 137.0 | CH | NDd | |
15 | 156.1 | C | 156.0 | C | 156.1 | C | 156.2 | C | 155.8 | C |
16 | 131.5 | C | 131.4 | C | 131.5 | C | NDd | NDd | ||
17 | 137.7 | CH | 137.7 | CH | 137.7 | CH | 137.3 | CH | NDd | |
18 | 162.7 | C | 162.7 | C | 162.7 | C | 162.9 | C | 162.4 | C |
19 | 116.9 | CH | 116.8 | CH | 116.8 | CH | 115.9 | CH | 116.9 | CH |
20 | 139.9 | CH | 140.0 | CH | 140.1 | CH | 141.4 | CH | 139.7 | CH |
21 | 33.8 | CH2 | 33.9 | CH2 | 34.0 | CH2 | 35.0 | CH2 | 33.4 | CH2 |
22 | 79.9 | CH | 79.9 | CH | 79.9 | CH | 78.3 | CH | 79.6 | CH |
22-OMe | 57.7 | CH3 | 57.7 | CH3 | 57.8 | CH3 | 58.1 | CH3 | 57.6 | CH3 |
23 | 40.3 | CH | 40.3 | CH | 40.4 | CH | 41.0 | CH | 40.1 | CH |
23-Me | 9.0 | CH3 | 8.9 | CH3 | 9.0 | CH3 | 9.0 | CH3 | 9.0 | CH3 |
24 | 72.8 | CH | 72.9 | CH | 72.9 | CH | 72.6 | CH | 72.6 | CH |
25 | 31.9 | CH2 | 31.8 | CH2 | 32.1 | CH2 | 33.6 | CH2 | 31.6 | CH2 |
26 | 81.7 | CH | 81.6 | CH | 81.1 | CH | 81.6 | CH | 81.4 | CH |
26-OMe | 58.0 | CH3 | 57.9 | CH3 | 58.1 | CH3 | 58.0 | CH3 | 57.8 | CH3 |
27 | 34.4 | CH | 34.7 | CH | 35.5 | CH | 34.5 | CH | 34.4 | CH |
27-Me | 15.4 | CH3 | 15.5 | CH3 | 15.4 | CH3 | 15.7 | CH3 | 15.6 | CH3 |
28 | 25.0 | CH2 | 27.0 | CH2 | 28.4 | CH2 | 25.2 | CH2 | 26.6 | CH2 |
29 | 39.8 | CH2 | 30.4 | CH2 | 29.7 | CH2 | 39.8 | CH2 | 30.3 | CH2 |
30 | 211.6 | C | 73.03 | CH | 70.0 | CH | 211.6 | C | 72.7 | CH |
31 | 48.6 | CH | 37.5 | CH | 39.7 | CH | 48.6 | CH | 37.2 | CH |
31-Me | 13.3 | CH3 | 9.7 | CH3 | 8.5 | CH3 | 13.6 | CH3 | 9.1 | CH3 |
32 | 77.2 | CH | 79.8 | CH | 79.3 | CH | 77.2 | CH | 76.4 | CH |
32-OAc | 170.0 | C | 170.6 | C | 172.5 | C | 170.0 | C | 171.1 | C |
20.8 | CH3 | 20.9 | CH3 | 20.9 | CH3 | 20.9 | CH3 | 20.8 | CH3 | |
33 | 36.8 | CH | 36.9 | CH | 36.5 | CH | 36.9 | CH | 36.7 | CH |
33-Me | 18.8 | CH3 | 19.3 | CH3 | 19.4 | CH3 | 19.0 | CH3 | 19.4 | CH3 |
34 | 110.4 | CH | 110.2 | CH | 110.0 | CH | 110.5 | CH | 109.5 | CH |
35 | 129.4 | CH | 129.4 | CH | 129.4 | CH | 129.4 | CH | 129.4 | CH |
35-NMe | 27.5 | CH3 | 27.5 | CH3 | 27.5 | CH3 | 27.5 | CH3 | 27.5 | CH3 |
35-NCHO | 162.1 | CH | 162.1 | CH | 162.1 | CH | 162.1 | CH | 161.9 | CH |
36 | 170.2 | C | 170.3 | C | ||||||
37 | 80.6 | CH | 81.4 | CH | ||||||
37-OMe | 58.6 | CH3 | 58.2 | CH3 | ||||||
38 | 72.98 | CH2 | 62.9 | CH2 | ||||||
38-OMe | 59.3 | CH3 |
Carbon spectra recorded at 125 MHz.
Resonances for minor rotamers can be found in the supporting information.
Carbon resonances extrapolated from HSQC and HMBC experiments.
Not detected.