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85031236046
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note
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78649354607
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85031261536
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note
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15, 753.2753.
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11
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0014422875
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Sim, G.A.6
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12
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85031247001
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note
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3) δ 5.68 (dd, 17.6,10.8, H-1), 5.22 (d, 17.6, H-2α), 5.20 (d, 10.8, H2β), 2.44 (d, 10.5, H-5), 3.99 (dd, 10.4,10.3, H-6), 2.43 (t, 10.5, H-7), 4.07 (ddd, 11.0,10.8, 4.8, H-8), 1.94 (dd, 14.0,4.8, H-9α), 1.52 (dd, 13.8,11.6, H-9β), 6.42 (s, H-13α), 5.81 (s, H-13β), 4.56 (d, 11.9, H-14α), 4.28 (dd, 11.8, 1.6, H-14β), 6.58 (s, H-15α), 5.73 (s, H-15β), 3.76 (s, OMe).
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13
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85031265896
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note
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3) δ5 5.61 (dd, 17.3,11.0, H-1), 5.25 (d, 17.7, H-2α), 5.24 (d, 12.2, H-2β), 2.75 (m, H-5), 5.76 (m, H-6), 2.67 (d, 10.7, H-7), 5.77 (m, H-8), 2.13 (dd, 13.5, 4.8, H-9α), 1.55 (t, 13.0, H-9β), 6.21 (s, H-13alpha;), 5.18 (s, H-13β), 4.82 (d, 12.2, H-14α), 4.43 (d, 12.1, H-14β), 6.27 (s, H-15alpha;), 5.60 (S, H15β), 3.79 (s, OMe).
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14
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85031237234
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The limited amount of 1 and 2 didn't allow us to determine the absolute conformation by Mosher's method
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The limited amount of 1 and 2 didn't allow us to determine the absolute conformation by Mosher's method.
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15
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85031242217
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TURBOMOLE V6.1 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007
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TURBOMOLE V6.1 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com.
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16
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22944484208
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0037154597
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26344435738
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84986437005
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Monte Carlo simulation and molecular mechanics calculation were conducted by Macromodel program: Mohamadi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T.; Still, W. C J. Comput. Chem. 1990, 11, 440-467.
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Guida, W.C.3
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Lipton, M.5
Caufield, C.6
Chang, G.7
Hendrickson, T.8
Still, W.C.9
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26
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85031269109
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note
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max 220 and 280 nm), while that of the 5R,6R,7R,8S,10R,17R,3'R,4'S, 5'R,6'S,7'S,8'R,10'S isomer showed two positive cotton effects with the same intensity λmax 220 and 280 nm). ECD spectrum of antipode of 1 was shown to be its mirror image.
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