Sinuhirtone A, An Uncommon 17,19-Dinorxeniaphyllanoid, and Nine Related New Terpenoids from the Hainan Soft Coral Sinularia hirta

Chemical investigation of the Hainan soft coral resulted in the isolation and identification of a library of sixteen structurally diverse terpenoids, including a dinorditerpenoid with an uncommon 17,19-dinorxeniaphyllane skeleton, namely sinuhirtone A ( ), six new xeniaphyllane-type diterpenoids ( - ), one new norxeniaphyllanoid ( ), two new norcaryophyllene-type sesquiterpenoids ( and ), together with six known related compounds ( - ). Compounds - are three new furanone-containing xeniaphyllane-type diterpenoids. The structures of the new compounds, including their absolute configurations, were determined by extensive spectroscopic analysis and a series of quantum chemical calculations, including quantum mechanical-nuclear magnetic resonance (QM-NMR), time-dependent density functional theory-electronic circular dichroism (TDDFT-ECD), and optical rotatory dispersion (ORD) methods. A plausible biosynthetic connection between new compounds - was also proposed. New compounds - , , and were evaluated for in vitro cytotoxicity against four cancer cell lines.