Cui, Wan-Xiang, Yang, Min, Li, Heng, Li, Song-Wei, Yao, Li-Gong, Li, Geng, Tang, Wei, Wang, Chun-Hua, Liang, Lin-Fu, and Guo, Yue-Wei
• A series of polycyclic furanobutenolide-derived norcembranoids were obtained. • TDDFT-ECD and X-Ray diffraction analysis were employed to determine absolute configurations. • ECD spectra data were in agreement with the proposed empirical ECD helicity rule. • Potent immunosuppressive activities against T and/or B lymphocytes were observed. One new polycyclic furanobutenolide-derived norcembranoid, xiguscabrolide H (1), together with eleven known related norditerpenoids 2 – 12 were isolated from South China Sea soft corals Sinularia scabra and S. polydactyla , respectively. Among them, compounds 1 , 6 , 8 , and 12 were discovered from the former species, while compounds 2 – 5 , 7 , and 9 – 11 were obtained from the latter species. The structure of new compound 1 was elucidated by extensive spectroscopic analysis and by the comparison with the reported data. With the assistance of time-dependent density functional theory electronic circular dichroism (TDDFT-ECD) calculations, its absolute configuration was determined. Moreover, the absolute stereostructures of the known compounds 3 , 4 , and 9 – 12 , of which only relative configurations were assigned, were established for the first time by X-Ray diffraction analysis and TDDFT-ECD calculations, respectively. In bioassay, several isolates exhibited potent inhibitory effects on the ConA-induced T lymphocytes and/or LPS-induced B lymphocytes proliferation. [ABSTRACT FROM AUTHOR]