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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 2.

1H (600 MHz) and 13C NMR (125 MHz) for xestoproxamine B (2) (CD3OD)

No. δC, mult.a δH, mult (J in Hz, ax/eq) COSY HMBCb
1 55.7, CH2 3.23, dd (12.0, 12.0, ax) 3 2, 3, 5, 11, 30
3.16, m (eq) 2, 3, 5, 11, 30
2 29.9, CH 2.24, m (ax) 1, 3, 30 1, 3, 29, 30
3 36.1, CH 1.87, m (ax) 2, 4 1, 2, 4, 5 8, 10, 29 30
4 25.3, CH2 1.81, m (eq) 3, 5 2, 3, 9 11
1.68, m (ax) 2, 3, 9
5 47.5, CH2 3.45, brd (13.7, eq) 4 1, 3, 4
3.17, m (ax) 1, 3, 4
6 57.4, CH2 3.23, brd (12.0, eq) 7 7, 8, 10, 20, 21
2.85, dd (12.0, 12.0, ax) 7, 8, 10, 21
7 34.5, CH 1.91, m (ax) 6, 8, 20 6, 8, 19, 20
8 27.9, CH2 1.87, m (eq) 7, 9 3, 6, 7, 9, 10, 20
1.08, ddd (12.0, 12.0, 12.0, ax) 3, 6, 7, 9, 10, 20
9 42.1, CH 1.78, m (ax) 8, 10 4, 7,
10 56.7, CH2 3.53, m (eq) 9 6, 8 9, 21
2.98, dd (12.0, 12.0, ax) 6, 8, 9
11 49.3, CH2 3.30, m 12 1, 5, 12, 13
3.02, m 1. 5, 12, 13
12 21.7, CH2 1.77, m 11, 13 11, 13, 14
1.65, m 11, 13
13 25.4, CH2 1.68, m 12, 14 11, 12, 14, 15
1.60, m 11, 12, 15
14 27.5, CH2 1.44, m 13, 15 12, 13, 15
15 28.9, CH2 1.44, m 14, 16 13, 16, 17
1.26, m 13, 16, 17
16 29.5, CH2 2.22, m 15, 17 14, 15, 17, 18
2.00, m 14, 15, 17, 18
17 131.7, CH 5.48, m 16, 18 16, 18, 19
18 129.2, CH 5.33, m 17, 19 17, 18, 19
19 23.5, CH2 2.45, m 18, 20
2.15, m 17, 20
20 31.7, CH2 1.75, m 19, 7 6, 7, 18,
1.28, m 6, 7, 8, 18, 19
21 56.1, CH2 3.30, m 22 6, 10, 22, 23
3.07, m 6, 10, 22, 23
22 20.0, CH2 1.77, m 21, 23 21, 23
23 26.2, CH2 1.50, m 22, 24 22
1.37, m 21, 22
24–28 29.0-26.4, CH2 1.53-1.25, m
29 21.8, CH2 1.25, m 30
1.21, m
30 32.1, CH2 1.69, m 2, 29 1, 2, 3
1.44, m 1, 2, 3
a

Determined from DEPT and HSQC.

b

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

c

Observed by HSQC.

d

May be interchanged.