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. Author manuscript; available in PMC: 2017 Mar 25.
Published in final edited form as: J Nat Prod. 2016 Jan 13;79(3):541–554. doi: 10.1021/acs.jnatprod.5b00927

Table 3.

NMR Data (900 and 700 MHz 1H) for 1

position δ C δH, mult., J in Hzb HMBC (H→C) COSY ROESY
1 β 72.7 3.825 brs 2α/β 2α,19 exo
2 β 37.8 2.272 dt 2.3, 12.7 2α, 1β, 3 19 exo, 30
2 α 37.8 2.741 dt 12.7, 3.7 2β, 1β, 3 3
3 84.6 4.366 dd 4.2, 11.7 2α/β 29, 5, 2α
4 41.6
5 40.1 2.508 dd 2.5, 12.6 6α 6α, 7β, 3
6 β 20.9 0.901 overlapped 6β, 5,7β 19 endo
6 α 20.9 1.721 overlapped 7α, 5 5
7 β 26.4 1.423 overlapped 7α, 8 5, 7α
7 α 26.4 2.193 overlapped 6α, 7β, 8 7b, 6α, 8
8 49.1 1.787 dd 4.2, 12.5 7α 19 endo, 6β, 2β, 15
9 a
9 a
11 β 26.3 1.429 overlapped 6.0, 11.3 11α, 12α/β 19 exo, 11α
11 α 26.3 2.814 ddd 14.7 11β, 12α/β 28, 11b, 12α
12 β 34.1 1.620 overlapped 11α, 12α 21, 18
12 α 34.1 1.707 overlapped 11α, 12β 11α
13 41.8
14 47.8
15 81.0 4.291 d 6.8 18,8
16 112.4
17 60.8 1.781 d 10.8 22α
18 Me 19.5 1.246 s 12, 13,14, 17 15
19 exo 30.6 0.447 d 4.2 19 endo 11β, 2β, 1β1
19 endo 30.6 0.729 d 4.2 19 exo 6β, 30, 8
20 23.3 1.743 m 22α 22β
21 Me 19.4 0.952 d 6.5 20, 22,17 20 12β, 22α, 22β
22 β 29.6 1.954 m 22α, 23 21, 17
22 α 29.6 2.675 dt 12.1, 1.6 22β, 20, 23 20, 21, 27
23 73.8 4.598 dt 12.1, 1.6 3 22α/β, 24
24 84.1 3.685 d 6.8
26 Me 30.7 1.406 s 27, 25, 24 24
27 Me 25.9 1.262 s 26, 25, 24 22α, 22β, 23, 24
28 Me 11.6 1.186 s 13, 8, 14, 15 11α
29 Me 25.7 1.430 s 30, 3, 4, 5 3
30 Me 14.7 1.147 s 29, 3, 4, 5 19 endo, 6β, 2β
1' 107.7 4.874 d 7.3 3 2'
2' 75.0 4.046 dd/t 7.3, 8.7 3'
3' 78.7 4.123 dd/t 8.7 4'
4' 71.4 4.206 m
5' α 67.1 3.561 dd 9.5, 11.4 5' β
5′ β 67.1 4.228 dd 5.3, 11.4
a

δC could not be obtained due to insufficient signal intensity.

b

Coupling patterns given as line distances (first-order assumptions); for a detailed interpretation of the xylp 1H spin system, see the data for 4 in Table 1.