Table 2.
No. | δC, mult.a | δH, mult (J in Hz, ax/eq) | COSY | HMBCb |
---|---|---|---|---|
1 | 55.7, CH2 | 3.23, dd (12.0, 12.0, ax) | 3 | 2, 3, 5, 11, 30 |
3.16, m (eq) | 2, 3, 5, 11, 30 | |||
2 | 29.9, CH | 2.24, m (ax) | 1, 3, 30 | 1, 3, 29, 30 |
3 | 36.1, CH | 1.87, m (ax) | 2, 4 | 1, 2, 4, 5 8, 10, 29 30 |
4 | 25.3, CH2 | 1.81, m (eq) | 3, 5 | 2, 3, 9 11 |
1.68, m (ax) | 2, 3, 9 | |||
5 | 47.5, CH2 | 3.45, brd (13.7, eq) | 4 | 1, 3, 4 |
3.17, m (ax) | 1, 3, 4 | |||
6 | 57.4, CH2 | 3.23, brd (12.0, eq) | 7 | 7, 8, 10, 20, 21 |
2.85, dd (12.0, 12.0, ax) | 7, 8, 10, 21 | |||
7 | 34.5, CH | 1.91, m (ax) | 6, 8, 20 | 6, 8, 19, 20 |
8 | 27.9, CH2 | 1.87, m (eq) | 7, 9 | 3, 6, 7, 9, 10, 20 |
1.08, ddd (12.0, 12.0, 12.0, ax) | 3, 6, 7, 9, 10, 20 | |||
9 | 42.1, CH | 1.78, m (ax) | 8, 10 | 4, 7, |
10 | 56.7, CH2 | 3.53, m (eq) | 9 | 6, 8 9, 21 |
2.98, dd (12.0, 12.0, ax) | 6, 8, 9 | |||
11 | 49.3, CH2 | 3.30, m | 12 | 1, 5, 12, 13 |
3.02, m | 1. 5, 12, 13 | |||
12 | 21.7, CH2 | 1.77, m | 11, 13 | 11, 13, 14 |
1.65, m | 11, 13 | |||
13 | 25.4, CH2 | 1.68, m | 12, 14 | 11, 12, 14, 15 |
1.60, m | 11, 12, 15 | |||
14 | 27.5, CH2 | 1.44, m | 13, 15 | 12, 13, 15 |
15 | 28.9, CH2 | 1.44, m | 14, 16 | 13, 16, 17 |
1.26, m | 13, 16, 17 | |||
16 | 29.5, CH2 | 2.22, m | 15, 17 | 14, 15, 17, 18 |
2.00, m | 14, 15, 17, 18 | |||
17 | 131.7, CH | 5.48, m | 16, 18 | 16, 18, 19 |
18 | 129.2, CH | 5.33, m | 17, 19 | 17, 18, 19 |
19 | 23.5, CH2 | 2.45, m | 18, 20 | |
2.15, m | 17, 20 | |||
20 | 31.7, CH2 | 1.75, m | 19, 7 | 6, 7, 18, |
1.28, m | 6, 7, 8, 18, 19 | |||
21 | 56.1, CH2 | 3.30, m | 22 | 6, 10, 22, 23 |
3.07, m | 6, 10, 22, 23 | |||
22 | 20.0, CH2 | 1.77, m | 21, 23 | 21, 23 |
23 | 26.2, CH2 | 1.50, m | 22, 24 | 22 |
1.37, m | 21, 22 | |||
24–28 | 29.0-26.4, CH2 | 1.53-1.25, m | ||
29 | 21.8, CH2 | 1.25, m | 30 | |
1.21, m | ||||
30 | 32.1, CH2 | 1.69, m | 2, 29 | 1, 2, 3 |
1.44, m | 1, 2, 3 |
Determined from DEPT and HSQC.
HMBC correlations, optimized for 8 Hz, are from proton(s) stated to the indicated carbon.
Observed by HSQC.
May be interchanged.