Table 2.
Position | δC, mult.a | δH | mult. (J in Hz)b | COSYb | HMBCb | NOESYb |
---|---|---|---|---|---|---|
1 | 8.32 | br s | 2 | |||
2 | 123.3, CH | 7.89 | d (2.4) | 1 | 3, 8, 9 | |
3 | 109.9, C | |||||
4 | 140.7, C | |||||
5 | 114.5, CH | 7.04 | m | 6 | 4, 7, 9, 10, 16 | 17, 18 |
6 | 124.4, CH | 7.202 | m | 7 | 4, 5, 8 | |
7 | 109.2, CH | 7.206 | m | 6 | 5, 9 | |
8 | 133.1, C | |||||
9 | 124.9, C | |||||
10 | 132.4, C | |||||
11 | 121.6, C | |||||
12 | 40.6, C | |||||
13eq | 35.8, CH2 | 1.76 | m | 14ax | 12, 19 | 19 |
13ax | 1.72 | m | 13eq | 15 | ||
14eq | 20.1, CH2 | 1.97 | m | 14ax, 15 | 13 | 15 |
14ax | 1.83 | m | 13eq, 14eq, 15 | 13 | 18, 19 | |
15 | 47.4, CH | 2.66 | dd (9.6, 6.6) | 14eq, 14ax | 10, 11, 16, 17 | 13ax, 14eq, 14ax, 17 |
16 | 38.9, C | |||||
17 | 24.6, CH3 | 1.52 | s | 18 | 4, 5, 16, 18 | |
18 | 26.1, CH3 | 1.04 | s | 17 | 4, 5, 16, 17 | 14ax |
19 | 23.6, CH3 | 1.36 | s | 11, 12, 13, 20 | ||
20 | 145.2, CH | 5.94 | dd (17.4, 10.8) | 21E, 21Z | 11, 12, 13, 20 | 13ax, 19 |
21E | 114.7, CH2 | 5.21 | d (10.8) | 20 | 12 | 19 |
21Z | 5.18 | d (17.4) | 20 | 12, 20 | 19 | |
22 | c |
Chemical shifts determined from gHSQC and gHMBC experiments recorded at 600 MHz.
Recorded at 600 MHz.
Signal not observed.