关键词: 肾茶, 唇形科, 量子计算, 倍半萜, 木脂素

Abstract: Two new compound,(7′S,8′S)-8-epiblechnic acid diacetate (1) and threo-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxy-phenyl)-3-ethoxypropan1-ol (2),along with sixteen known compounds were isolated from Clerodendranthus spicatus. Their structures were identified as 9-hydroxy-4,7-megastigmadien-3-one (3),dehydrololiolide (4),3-hydroxy-4-oxo-7,8-dihydro-β-ionone (5),3-hydroxy-7,8-dehydro-β-ionol (6),3-hydroxy-5,6-epoxy-β-ionone (7),loliolide (8),threo-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxy-propan-1-ol (9),erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol (10),pinoresinol (11),(+)syringaresinol (12),(+)(7R,7′R,7′′R,7′′′R,8S,8′S,8′′S,8′′′S)-4′′,4′′′-dihydroxy-3,3′,3′′,3′′′,5,5′-hexame-thoxy-7,9′:7′,9-diepoxy-4,8′′:4′,8′′′bisoxy-8,8′-dineolignan-7′′,7′′′,9′′,9′′′-tetraol (13),fragransins B1-B3 (14-16),sacidumol A (17),and 3′,4′,5,6,7-pentamethoxyflavone (18),respectively,by spectroscopic methods.Compounds 1 and 2 are new substances,where compound 1 is likely a new artifact derived from 8-epiblechnic acid.Besides,the absolute configuration of 1 was assigned by ECD calculations.In addition,compounds 3-11 and 13-17 were isolated from C.spicatus for the first time.

Key words: Clerodendranthus spicatus, Labiatae, sesquiterpenes, lignans, ECD calculations