1.0 2010-04-08 22:11:59 UTC 2025-11-19 00:57:19 UTC FDB015662 ent-17-Oxo-15-kauren-19-oic acid Constituent of Helianthus subspecies ent-17-Oxo-15-kauren-19-oic acid C20H28O3 316.4345 316.203844762 14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylic acid 14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylic acid 77887-58-2 CC12CCCC(C)(C1CCC13CC(CCC21)C(C=O)=C3)C(O)=O InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23) DIURMAFIAYOVGU-UHFFFAOYSA-N belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Kaurane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Aldehydes Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.34 ALOGPS logs -4.56 ALOGPS solubility 8.68e-03 g/l ALOGPS logp 3.78 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylic acid ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC12CCCC(C)(C1CCC13CC(CCC21)C(C=O)=C3)C(O)=O ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23) ChemAxon inchikey DIURMAFIAYOVGU-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 89.23 ChemAxon polarizability 35.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11979 Specdb::CMs 45000 Specdb::CMs 132401 Specdb::CMs 140135 Specdb::MsMs 102093 Specdb::MsMs 102094 Specdb::MsMs 102095 Specdb::MsMs 167826 Specdb::MsMs 167827 Specdb::MsMs 167828 Specdb::MsMs 2783152 Specdb::MsMs 2783153 Specdb::MsMs 2783154 Specdb::MsMs 2921800 Specdb::MsMs 2921801 Specdb::MsMs 2921802 HMDB36725 #<Reference:0x000055ce32cbfee8>