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. 2023 Dec 5;13(50):35481–35492. doi: 10.1039/d3ra07503f

1H and 13C NMR spectral data of 8, (−)-roseostachenone and 13-epi-(−)-roseostachenone.

No. 8 (−)-Roseostachenone 13-epi-(−)-Roseostachenone
δ H (multi, J in Hz) (acetone-d6, 500 MHz) δ C (acetone-d6, 125 MHz) δ H (multi, J in Hz) (CDCl3, 500 MHz) δ H (multi, J in Hz) (CDCl3, 200 MHz) δ C (CDCl3, 50 MHz) δ H (multi, J in Hz) (CDCl3, 200 MHz) δ C (CDCl3, 50 MHz)
1 2.66 (dd, 18.5, 7.0), 2.43 (d, 18.0) 35.7 2.69 (dd, 18.5, 6.5), 2.50 (d, 18.5) 2.28 (m) 34.8 2.28 (m) 34.3
2 198.8 200.4 200.5
3 5.56 (d, 1.0) 129.1 5.84 (brs) 5.67 (m) 125.4 5.66 (d, 1.2) 127.4
4 169.4 172.5 172.6
5 40.1 39.7 39.7
6 37.5 34.8 35.5
7 29.1 26.8 26.8
8 37.4 35.8 35.8
9 40.3 38.3 38.3
10 1.90 (m) 47.9 1.83 (d, 6.5) 1.87 (m) 45.5 45.5
11 31.3 31.1 31.1
12 35.8 35.5 34.7
13 72.8 73.0 73.0
14 5.93 (dd, 17.0, 10.5) 147.1 5.87 (dd, 10.5, 17.5) 5.83 (dd, 10.70, 17.33) 144.9 5.82 (dd, 17.4, 10.7) 144.8
15 5.21 (dd, 17.5, 2.0), 4.98 (dd, 11.0, 2.0) 111.5 5.09 (d, 11.0), 5.20 (d, 16.5) 5.03 (dd, 10.7, 1.0), 5.16 (dd, 17.3, 1.0) 112.0 5.14 (dd, 17.4, 1.3), 5.03 (dd, 10.7, 1.3) 111.9
16 1.24 (s) 28.5 1.22 (s) 1.23 (s) 27.6 1.22 (s) 27.7
17 0.78 (d, 7.0) 16.3 0.77 (d, 7.0) 0.77 (d, 6.5) 15.8 0.79 (d, 6.8) 15.6
18 1.96 (d, 1.0) 20.5 1.94 (d, 1.5) 1.84 (d, 1.0) 18.9 1.83 (d, 1.1) 18.9
19 1.25 (s) 32.3 1.25 (s) 1.06 (s) 18.3 1.06 (s) 18.2
20 0.56 (s) 19.6 0.58 (s) 0.76 (s) 18.0 0.76 (s) 17.9