1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:04 UTC FDB015703 ent-15-Oxo-16-kauren-19-oic acid Isolated from Chrysobalanus icaco. ent-15-Oxo-16-kauren-19-oic acid is found in fruits. 15-oxo-(4a)-Kaur-16-en-18-Oic acid 15-oxo-(4alpha)-Kaur-16-en-18-Oic acid Diterpene deriv. ent-15-Oxo-16-kauren-19-oic acid ent-15-Oxo-kaur-16-en-19-oic acid ent-15-oxokaur-16-en-19-oic acid Kaur-16-en-18-oic acid, 15-oxo-, (4a)- Kaur-16-en-18-oic acid, 15-oxo-, (4alpha)- C20H28O3 316.4345 316.203844762 5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 6620-00-4 CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3=O)C(O)=O InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23) WQBNGXOJBVBQKP-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 Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Kaurane diterpenoid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.56 ALOGPS logs -4.83 ALOGPS solubility 4.68e-03 g/l ALOGPS melting_point Mp 211-213° logp 4.65 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac 5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3=O)C(O)=O ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23) ChemAxon inchikey WQBNGXOJBVBQKP-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 88.11 ChemAxon polarizability 35.4 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22810 Specdb::CMs 45024 Specdb::CMs 168179 Specdb::MsMs 7703 Specdb::MsMs 7704 Specdb::MsMs 7705 Specdb::MsMs 14375 Specdb::MsMs 14376 Specdb::MsMs 14377 Specdb::MsMs 2394637 Specdb::MsMs 2394638 Specdb::MsMs 2394639 Specdb::MsMs 2571824 Specdb::MsMs 2571825 Specdb::MsMs 2571826 HMDB36762 #<Reference:0x000055ce2f65e9d0> Fruits Unknown generic