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. 2022 Dec 23;28(1):126. doi: 10.3390/molecules28010126

Table 1.

Spectral data of compound 1: 1H NMR and 13C NMR with key HMBC and COSY.

Units Position 13C(ppm) 1H(ppm) HMBC COSY
Unit A 2A 80.3 4.37 (1H, d, J = 8.5 Hz) C2′B; C1′B; C6′B H-2A/H-3A
3A 67.5 3.85 (1H, t) C10A H-3A/H-2A; H-3A/H-4A
4A 29.8 2.82 (1Hα, dd, J = 4.16 Hz); 2.83 (1Hβ, brs) C-2A; C-5A; C-10A; C-10A; C-3A H-4A/H3A
5A 155.8 -
6A 96.5 6.90 (1H, s) C-10A; C-8A; C-7A
7A 155.8 -
8A 106.7 -
9A 151.1 -
10A 100.0 -
1′A 133.2 -
2′A 115.5 6.82 (1H, d, J = 8.9 Hz) C-1′A; C-3′A H-2′A/H-6′A
3′A 145.3 -
4′A 145.9 -
5′A 116.1 6.75 (1H, d, J = 2.4 Hz) C-1′A; C-4′A H-5′A/H-2′A
6′A 119.5 6.73(1H, dd, J = 8.9; 2.4 Hz) C-2A; C-2′A; C-3′A H-6′A/H-2′A; H-6′A/H-5′A
Unit B 2B 72.6 4,11 (1H, d, J = 2,0 Hz) H-2B/H-3B
3B 78.9 5.69 (1H, brs) C-1′B; C-2′B; C-6′B H-3B/H-2B; H-3B/H4-B
4B 38.3 4.55 (1H, brs) C-10B; C-7A; C-8A; C-9A H-4B/H3B
5B 155.5 -
6B 96.1 5.80 (1H, brs) C-10B; C-7B; C-9B
7B 156.0 -
8B 106.4 -
9B 151.8 -
10B 108.9 -
1′B 131.8 -
2′B 115.7 6.63 (1H, d, J = 2.1 Hz) C-1′BA; C-3′B H-2′B/H-6′B
3′B 145.5 -
4′B 146.3 -
5′B 116.7 7.30 (1H, d, J = 8.3 Hz) C-1′B H-5′B/H-2′B
6′B 121.4 7.18 (1H, dd, J = 8.3, 21 Hz) C-2B; C-3′A H-6′B/H-2′B; H-6′B/H-5′B
Unit C 2C 99.9 -
3C 67.2 3.28 (1H, d, J = 3.4 Hz) C-2A; C-9A H-3C/H-4C
4C 28.9 4.14 (1H, d, J = 3.4 Hz) C-7B; C-8B; C-9B; C-10C; C-9C; C-2C H-4C/H-3C
5C 156.7 -
6C 98.3 5.95 (1H, d, J = 3.4 Hz) C-10C; C-7C; C-8C H-6C/H-8C
7C 157.8 -
8C 96.6 6.00 (1H, d, J = 3.3 Hz) C-10C; C-7C; C-6C H-8C/H-6C
9C 154.2 -
10C 104.9 -
1′C 132.5 -
2′C 115.7 7.02 (1H, d, J = 2.0 Hz) C-2C; C-3′C H-2′C/H-6′C
3′C 145.8 -
4′C 146.6 -
5′C 116.0 6.75 (1H, d, J = 8.3 Hz) C-1′C; C-4′C H-5′C/H-2′C
6′C 119.9 6.84 (1H, dd, J = 8.3, 2.1 Hz) C-2C; C-1′C H-6′C/H-2′C; H-6′C/H-5′C