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. 2012 Aug 1;287(39):32993–33000. doi: 10.1074/jbc.M112.366427

FIGURE 3.

FIGURE 3.

Structure elucidation of sevanol as epiphyllic acid 9,10-diisocitryl ester. A, proposed structure of sevanol with numbering of carbon atoms. B, observed positive ROESY (wavy lines) and 1H → 13C HMBC connectivities (bold lines for strong peaks and thin lines for weak peaks in the HMBC NMR spectrum). C, observed fragmentation of sevanol in the LC-ESI+ mass spectrum. Fragments 295, 469, and 497 are speculated to be due to the formation of a double bond between atoms 1 and 2 followed by the release of one water molecule with the participation of an ester oxygen atom.