Table 1 1H (400 MHz) and 13C NMR (100 MHz) data for zephycandidine A (1) (Methanol-d4) and DFT calculation of 13C NMR for 1a and 1b.
position | 1 | 1a | 1b | |||
|---|---|---|---|---|---|---|
δH (mult, J) | δC | δC(cal.) | δC(cor.) | δC(cal.) | δC(cor.) | |
1 | 8.47, dd, (8.2, 1.2) | 125.4 | 128.6 | 125.4 | 128.6 | 126.2 |
2 | 7.58, ddd, (8.2, 7.4, 1.0) | 126.9 | 129.1 | 125.9 | 129.8 | 127.7 |
3 | 7.67, ddd, (8.4, 7.4, 1.2) | 129.8 | 131.8 | 128.9 | 131.9 | 130.3 |
4 | 8.14, dd, (8.4, 1.0) | 117.5 | 120.9 | 116.9 | 120.3 | 115.8 |
4a | 132.3 | 135.4 | 132.9 | 134.4 | 133.5 | |
6 | 143.8 | 145.5 | 144.0 | 132.8 | 131.5 | |
6a | 119.8 | 125.0 | 121.4 | 125.2 | 121.9 | |
7 | 7.88, s | 103.2 | 107.8 | 102.5 | 107.3 | 99.5 |
8 | 150.7 | 151.8 | 150.9 | 151.9 | 155.4 | |
9 | 151.6 | 152.3 | 151.4 | 151.3 | 154.6 | |
10 | 7.99, s | 103.1 | 106.8 | 101.4 | 107.4 | 99.6 |
10a | 125.5 | 128.1 | 124.8 | 126.1 | 123.1 | |
10b | 123.1 | 127.3 | 123.9 | 127.9 | 125.3 | |
11 | 7.52, d, (1.4) | 113.8 | 116.8 | 112.4 | 131.5 | 129.8 |
12 | 8.32, d, (1.4) | 131.5 | 134.7 | 132.1 | 125.3 | 122.1 |
OCH2O | 6.16, s | 103.7 | 111.8 | 106.9 | 111.8 | 105.2 |
