In the present study, the chemical constituents of the aerial parts of Pseudodictamnus aucheri (Boiss.) Salmaki & Siadati (formerly Ballota aucheri (Boiss.)), which is endemic to Iran, are reported. Six furolabdane-type diterpenoids, i.e., ballotenol, ballotinone, ballonigrin, 6β,9α-dihydroxy-15,16-epoxylabda-13(16),14-dien-7-one, hispanolone,
and leoheterin (7β,9α-dihydroxy-15,16-poxylabda-13(16),14 dien-6 one), and the flavonoid ladanein were isolated from the chloroform extract of P. aucheri and identified using high-performance liquid chromatography-photodiode-array detection-high-resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Ballotenol, 6β,9α-dihydroxy-15,16-epoxylabda-13(16),14-dien-7-one, hispanolone, and ladanein were identified from P. aucheri for the first time, and 6β,9α-dihydroxy-15,16-epoxylabda-13(16),14-dien-7-one, hispanolone, and leoheterin, were identified as chemophenetic markers to support a new circumscription of Ballota and Pseudodictamnus within tribe Marrubieae.