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The structure of compound 3b was confirmed by a structural study using X-ray crystallography.
The core structure of compound 32 was chosen as a structural element for superimposition of all other compounds (Figure 1a).
Accordingly, the planar structure of compound 7 was elucidated.
Thus, the planar structure of compound 1 was determined.
Therefore, the structure of compound 6 was elucidated.
Figure 1 The crystal structure of compound 6n.
Furthermore, other HMBC correlationsconfirmed the structure of compound 1.
The structure of compound 5 was deduced by spectroscopic techniques.
A 2.2 Å crystal structure of compound 13 is shown.
From the above results, the structure of compound 2 was established as 4′-O-isobutyroylpeguangxienin.
Therefore, the structure of compound 1 was established and named bipolenin D (Fig. 1).
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