1.0 2010-04-08 22:07:24 UTC 2025-11-18 23:03:22 UTC FDB007005 (+)-Royleanone (+)-royleanone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units (+)-royleanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-royleanone can be found in common sage, which makes (+)-royleanone a potential biomarker for the consumption of this food product. Royleanone C20H28O3 316.4345 316.203844762 (4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione royleanone 6812-87-9 [H][C@@]12CCC3=C(C(=O)C(O)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,22H,6-10H2,1-5H3/t13-,20-/m0/s1 KZAPVZIQILABNM-RBZFPXEDSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Enols Hydrocarbon derivatives Hydrophenanthrenes Ketones Organic oxides Vinylogous acids Abietane diterpenoid Aliphatic homopolycyclic compound Carbonyl group Diterpenoid Enol Hydrocarbon derivative Hydrophenanthrene Ketone Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Vinylogous acid Abietanes diterpenoid logp 3.95 ALOGPS logs -3.87 ALOGPS solubility 4.25e-02 g/l ALOGPS logp 4.74 ChemAxon pka_strongest_acidic 8.77 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles [H][C@@]12CCC3=C(C(=O)C(O)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,22H,6-10H2,1-5H3/t13-,20-/m0/s1 ChemAxon inchikey KZAPVZIQILABNM-RBZFPXEDSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 92.61 ChemAxon polarizability 36.49 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54246 Specdb::MsMs 54247 Specdb::MsMs 54248 Specdb::MsMs 133725 Specdb::MsMs 133726 Specdb::MsMs 133727 Specdb::MsMs 3603539 Specdb::MsMs 3603540 Specdb::MsMs 3603541 Specdb::MsMs 3603542 Specdb::MsMs 3603543 Specdb::MsMs 3603544 Common sage Type 1 specific Salvia officinalis 38868 2030.0 2030.0 2030.0 mg/100 g