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. 2014 Oct 29;77(11):2537–2544. doi: 10.1021/np500617u

Table 1. 1H and 13C NMR Data for Compound 1 (400 and 100 MHz, respectively, δ in ppm), 2, and 3 (500 and 125 MHz, respectively).

  1a
 2b
 3a
pos δC, type δH (J in Hz) δC, type δH (J in Hz) δC, type δH (J in Hz)
1 195.7, C   204.5, C   198.6,c C  
2 48.8, C   52.5, C   49.0, C  
2-Me 13.7, CH3 1.33, s 19.2, CH3 1.30, s 13.3, CH3 1.32, s
3 39.3, CH 1.57, br dd (10.2, 10.2) 38.4, CH 2.72, br d (10.2) 40.4, CH 1.57, m
4 27.7, CH2 1.89, m 24.6, CH2 1.38, m 27.5, CH2 1.93, m
    1.00, m   1.45, m   1.00, m
5 35.4, CH2 1.70, m 36.6, CH2 1.67, m 35.4, CH2 1.71, m
    1.00, m   0.87, dd (13.4, 12.6, 2.9)   1.00, m
6 32.7, CH 1.47, m 29.8, CH 1.40, d (5.3) 32.9, CH 1.49, m
6-Me 22.2, CH3 0.87, d (6.7) 23.2, CH3 0.81, d (6.5) 22.1, CH3 0.88, d (6.5)
7 42.0, CH2 1.77, m 38.4, CH2 1.56, d (14.0) 42.0, CH2 1.77, m
    0.81, m   1.11, dt (12.3, 5.3)   0.82, dd (12.9, 11.7)
8 38.7, CH 1.77, m 36.7, CH 2.09, br s 38.7, CH 1.79, m
9 126.0, CH 5.18, s 126.8, CH 5.09, s 126.0, CH 5.19, s
10 130.9, C   133.7, C   131.6, C  
10-Me 22.2, CH3 1.52, s 23.3, CH3 1.63, s 22.4, CH3 1.52, s
11 48.8, CH 3.14, m 43.5, CH 3.20, d (9.8) 48.4, CH 3.18, m
12 130.7, CH 5.21, dd (15.4, 9.8) 134.1, CH 5.50, dd (14.2, 10.5) 131.0, CH 5.21d
13 131.3, CH 5.69, dd (15.4, 10.4) 135.9, CH 6.04, dt (10, 3) 132.1, CH 5.72, dd (15.6, 10.0)
14 130.9, CH 5.86, dd, (15.4, 10.5) 136.1, CH 6.09, dt (10, 3) 131.4, CH 5.90, dd (15.0, 11.2)
15 129.5, CH 5.49, ddd, (15.4, 10, 7) 130.3, CH 5.63, pentet (7.5) 130.3, CH 5.51, dt (15.1, 7.0)
16 42.1, CH2 2.09, ddd (13.8, 7, 7) 42.1, CH2 2.24, pentet (6.4) 42.4, CH2 2.09, m
    1.99, ddd (13.8, 7, 7)   2.18, pentet (6.4)   2.00, pentet (6.8)
17 65.6, CH 3.56, pentet (6.5) 68.7, CH 3.78, m 65.9, CH 3.59, m
18 22.7, CH3 0.98, d (6.5) 23.1, CH3 1.14, d (6.20) 23.1, CH3 0.98, d (6.1)
2′ 176.0,c C   180.8, C 179.2,c C    
3′ 100.6,c C   100.0,c C 100.0,c C    
4′ 190.6,c C   192.9, C 190.5, C    
5′ 67.6, CH 3.77, m 62.4, CH 3.87, br s 63.3, CH 3.79, m
6′ 58.0, CH2 3.80, dd (12, 2) 64.3, CH2 3.83, dd (11.4, 3) 60.4, CH2 3.62, d (11.0)
    3.68, dd, (12, 1.8)   3.77, m   3.57, dd (12.2, 5.9)
N-Me 26.8, CH3 2.93, s        
a

DMSO-d6.

b

CD3OD.

c

Broad signal.

d

Overlapped with H-9.