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. Author manuscript; available in PMC: 2014 Mar 18.
Published in final edited form as: J Nat Prod. 2011 Feb 22;74(3):430–440. doi: 10.1021/np1008637

Table 3.

1H (600 MHz) and 13C NMR (125 MHz) NMR Data for xestoproxamine C (3) (CDCl3)

No. δC, mult.a δH, mult (J in Hz, ax/eq) DQF-COSY HMBCb
1 53.1, CH2 2.93, dd (12.0, 12.0, ax) 2
2.55, brd (12.0, eq) 2, 5
2 40.1, CH 2.03, m (ax) 1, 3, 30
3 34.0, CH 1.96, m (eq) 2, 4 1, 2, 4, 8, 9, 10
4 34.7, CH2 2.12, m (ax) 3, 5 2
1.80, m (eq)
5 46.7, CH2 3.14, dd (12.0, 12.0, ax) 4
2.80, m (eq)
6 60.0, CH2 2.76, m (eq) 7
1.84, dd (12.0, 12.0, ax)
7 37.4, CH 1.60, m (ax) 6, 8, 20
8 37.9, CH2 2.43, m (eq) 7, 9 6, 7, 9, 10, 20
1.00, ddd (12.0, 12.0, 12.0, ax)
9 44.9, CH 1.98, m (ax) 8, 10 8
10 59.9, CH2 2.98, brd (9.8, eq) 9
2.17, m (ax) 6, 8
11 56.5, CH2 2.91, m 12 1, 5, 12, 13
12 22.0, CH2 1.65, m 11, 13 11, 13
1.56, m 11, 13
13 26.8, CH2 1.40, m 12 11, 12
14 26.8–27.7 1.50-1.20, m
15 27.3, CH2 1.37, m
16 26.6, CH2 2.03, m 15, 17 15, 17, 18
1.96, m 15, 17, 18
17 129.5, CH 5.44, m 16, 18 16
18 129.5, CH 5.41, m 17, 19 16
19 24.8, CH2 2.37, m 18, 20 17, 18, 20
1.81, m 7, 17, 18, 20
20 34.1, CH2 1.51, m 7, 19 8, 18, 19
0.93, m 6, 7, 8, 18, 19
21 55.0, CH2 2.70, m 22 10
2.48, m 6, 10
22 27.9, CH2 1.58, m 21, 23 21, 23, 24
1.48, m 21, 24, 31
23 30.5, CH 1.51, m 22, 24, 31
24 35.9, CH2 1.39, m 23, 25 22, 23, 31
1.09, m
25–30 26.8–27.7 1.50-1.20, m
31 21.2, CH3 0.87, d (6.7) 23 22, 23, 24
a

Assigned from HSQC/HMBC.

b

b HMBC correlations, optimized for 8 Hz, are from proton(s) stated to the indicated carbon.