1.0 2010-04-08 22:12:02 UTC 2025-11-19 00:58:40 UTC FDB015759 7-Oxo-8,15-isopimaradien-18-oic acid Isolated from Juniperus communis (juniper). 7-Oxo-8,15-isopimaradien-18-oic acid is found in fruits. 7-Oxo-8,15-isopimaradien-18-oic acid C20H28O3 316.4345 316.203844762 7-ethenyl-1,4a,7-trimethyl-9-oxo-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid 7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthrene-1-carboxylic acid 114191-62-7 CC1(CCC2=C(C1)C(=O)CC1C(C)(CCCC21C)C(O)=O)C=C InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23) MKABKMLRRKPPCP-UHFFFAOYSA-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 Carboxylic acids Cyclohexenones Hydrocarbon derivatives Hydrophenanthrenes Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclohexenone Diterpenoid Hydrocarbon derivative Hydrophenanthrene Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Pimarane diterpenoid logp 3.79 ALOGPS logs -4.44 ALOGPS solubility 1.16e-02 g/l ALOGPS logp 4.36 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -5 ChemAxon iupac 7-ethenyl-1,4a,7-trimethyl-9-oxo-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC1(CCC2=C(C1)C(=O)CC1C(C)(CCCC21C)C(O)=O)C=C ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23) ChemAxon inchikey MKABKMLRRKPPCP-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 90.76 ChemAxon polarizability 36.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12236 Specdb::CMs 45050 Specdb::CMs 158677 Specdb::MsMs 8804 Specdb::MsMs 8805 Specdb::MsMs 8806 Specdb::MsMs 15476 Specdb::MsMs 15477 Specdb::MsMs 15478 Specdb::MsMs 2432002 Specdb::MsMs 2432003 Specdb::MsMs 2432004 Specdb::MsMs 2503298 Specdb::MsMs 2503299 Specdb::MsMs 2503300 HMDB36812 #<Reference:0x000055ce31f28b40> Fruits Unknown generic