biostudies-literatureOlsen SSHNCCIH NIH HHSScience Foundation IrelandNIAID NIH HHSNIH HHS44https://www.ebi.ac.uk/biostudies/studies/S-EPMC11767152biostudies-literatureUnknown23(1)New technology has opened opportunities for research and exploration of deep-water ecosystems, highlighting deep-sea coral reefs as a rich source of novel bioactive natural products. During our ongoing investigation of the chemodiversity of the Irish deep sea and the soft coral <i>Anthothela grandiflora,</i> we report 12 unreported cadinene-like functionalized sesquiterpenes, anthoteibinenes F-Q. The metabolites were isolated using both bioassay- and ¹H NMR-guided approaches. One-/two-dimensional NMR spectroscopy and high-resolution mass spectrometry were used for structure elucidation, while a combination of NOESY NMR experiments, GIAO NMR calculations coupled with DP4+ probabilities measures, and ECD comparisons were incorporated to propose relative and absolute configurationsMarine drugsAnthoteibinenes F-Q: New Sesquiterpenes from the Irish Deep-Sea Coral &lt;i&gt;Anthothela grandiflora&lt;/i&gt;.PMC11767152R56 AI1549221R56AI154922-23A1SFI/15/1A/3100R21 AT0109391R21AT010939-23A1Young RMJohnson MOlsen SSHCruz Rosa EBaker BJAllcock ALAfoullouss SfalseAnthoteibinenes F-Q: New Sesquiterpenes from the Irish Deep-Sea Coral &lt;i&gt;Anthothela grandiflora&lt;/i&gt;.New technology has opened opportunities for research and exploration of deep-water ecosystems, highlighting deep-sea coral reefs as a rich source of novel bioactive natural products. During our ongoing investigation of the chemodiversity of the Irish deep sea and the soft coral <i>Anthothela grandiflora,</i> we report 12 unreported cadinene-like functionalized sesquiterpenes, anthoteibinenes F-Q. The metabolites were isolated using both bioassay- and ¹H NMR-guided approaches. One-/two-dimensional NMR spectroscopy and high-resolution mass spectrometry were used for structure elucidation, while a combination of NOESY NMR experiments, GIAO NMR calculations coupled with DP4+ probabilities measures, and ECD comparisons were incorporated to propose relative and absolute configurations2025-01-01T00:00:00Z2025 Jan2025-04-03T23:23:17.127Z2025-04-03T23:23:17.127ZS-EPMC117671523985254610.3390/md23010044