Abstract
Five new uncommon cembranoids, named lobophycrasins A–D ( 1 and 3 – 5 ) and (−)-humilisin A ( 2 ), together with a known related one ( 6 ), have been isolated from Hainan soft coral Lobophytum crassum . Their structures were elucidated by extensive spectroscopic analysis, NMR calculation with DP4+ probability analysis, TDDFT-ECD (time-dependent density functional theory-electronic circular dichroism) calculations and comparison with the reported data. Further, with the aid of X-ray diffraction analysis, the structure of lobocrasol ( 6 ), which was announced possessing novel unprecedented skeleton, was firmly revised as 6a . In addition, a plausible biogenetic connection among these isolates was also proposed. • Five new cembranoids have been isolated from Hainan soft coral Lobophytum crassum. • Their structures were elucidated by DP4+ calculation and/or TDDFT-ECD calculation. • With the aid of X-ray diffraction analysis, the structure of lobocrasol ( 6 ) was firmly revised as 6a.
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