No. | δC | δH (multi, J in Hz) | HMBC (H → C)d | H2BC (H → [H]C)d | 1,1-ADEQUATE ([H]C → C)d | Key ROESY |
---|---|---|---|---|---|---|
1 | 38.1 | 1.72 (dt, J = 13.3, 3.1)/1.32 (mc) | 25 | 2′/″ | 2′/″ | 2′/″, 25, 2′/″ |
2 | 27.3 | 1.67 (mc) | 3 | 1′, 1″, 3 | 1′, 1″, 3 | 1′/″, 25 |
3 | 76.2 | 4.02 (dd, J = 11.2, 4.7) | 1″, 2″, 5, 24 | 2′/″ | 2′/″ | 2′/″, 5 |
4 | 52.9 | 2′, 2″, 3, 5, 24 | 3, 5, 24 | |||
5 | 46.6 | 1.88 (mc) | 24, 25 | 6′, 6″ | 6′, 6″ | 3, 9 |
6 | 25.8 | 2.05 (mc)/1.80 (mc) | 5, 7 | 5, 7 | 7, 24, 25 | |
7 | 114.0 | 5.16 (dt, J = 5.1, 2.6) | 6′ | 6′, 6″ | 6′, 6″ | 14 |
8 | 151.0 | 6′/″, 11′/″, 12′/″, 26 | 7, 9 | |||
9 | 59.5 | 2.01 (mc) | 1′, 5, 11′ ,12′/″ ,25 | 11′, 11″ | 11′, 11″ | 1″, 5, 11″, 12″ |
10 | 34.1 | 1′/″, 5, 25 | 1′, 1″, 5, 9, 25 | |||
11 | 23.1 | 1.25 (mc)/1.53 (mc) | 12′/″ | 12″ | 9, 12′, 12″ | 25, 26/9 |
12 | 33.0 | 1.25 (mc)/1.48 (mc) | 11′/″, 14, 26a | 11′, 11″ | 11′, 11″ | 26/9, 15′/″, 27 |
13 | 48.3 | 12″, 14, 26, 27 | 12′, 12″, 14, 26 | |||
14 | 41.2 | 1.36 (mc) | 9, 12″, 26, 27 | 15′, 27 | 15′, 27 | 6′, 6″, 7 |
15 | 33.0 | 1.34 (mc)/1.00 (mc) | 16″, 27a | 14, 16′, 16″ | 14, 16′, 16″ | |
16 | 26.6 | 2.02 (mc)/1.87 (mc) | 15′/″, 17b | 15″, 17 | 15′, 15″, 17 | |
17 | 125 | 5.04 (ddq, J = 7.5, 6.3, 1.3) | 15′/″, 16′/″, 19′/″, 28 | 16′, 16″, 28* | 16′, 16″ | |
18 | 135 | 16′/″, 19′/″, 28 | 17, 19′, 19″, 28 | |||
19 | 40.0 | 1.96 (mc)/1.93 (mc) | 20″, 28, 29 | 20′, 20″ | 20′, 20″ | |
20 | 26.7 | 2.14 (mc)/2.09 (mc) | 21b | 19′, 19″, 29** | 19′, 19″, 21 | |
21 | 129.0 | 5.30 (t, J = 7.0) | 19′/″, 20′/″, 29, 30′/″ | 19′, 19″, 29* | 20′, 20″ | 29 |
22 | 134.0 | 20′/″, 29, 30′/″ | 21, 29, 30′, 30″ | |||
23 | 181.0 | 3, 5, 24 | ||||
24 | 10.7 | 1.18 (s) | 3, 5 | 6′, 25 | ||
25 | 14.1 | 0.75 (s) | 1″, 5 | 1′, 2′/″, 6′, 11′, 24 | ||
26 | 26.8 | 0.91 (s) | 12′/″b | 11′, 12′ | ||
27 | 15.1 | 0.86 (d, J = 6.8) | 14, 15′/″ | 14 | 14 | 12″ |
28 | 16.4 | 1.57 (s) | 17, 19′/″ | |||
29 | 21.4 | 1.77 (s) | 21, 30′/″ | 21 | ||
30 | 61.5 | 4.07 (d, J = 11.7)/4.17 (d, J = 11.7) | 21, 29 |