1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:03 UTC FDB015695 ent-16a-Hydro-6a,7a,17-trihydroxy-19-kauranoic acid Isolated from Phaseolus coccineus (scarlet runner bean). ent-16a-Hydro-6a,7a,17-trihydroxy-19-kauranoic acid is found in pulses. ent-16a-Hydro-6a,7a,17-trihydroxy-19-kauranoic acid C20H32O5 352.4651 352.224974134 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 56064-72-3 CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(C1)CCC23)C(O)=O InChI=1S/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25) FQXFNQBHZJYODR-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 Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 1.62 ALOGPS logs -2.41 ALOGPS solubility 1.37e+00 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_acidic 4.46 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CC12CCCC(C)(C1C(O)C(O)C13CC(CO)C(C1)CCC23)C(O)=O ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25) ChemAxon inchikey FQXFNQBHZJYODR-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 92.24 ChemAxon polarizability 38.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13648 Specdb::CMs 45019 Specdb::CMs 131796 Specdb::CMs 139530 Specdb::MsMs 91500 Specdb::MsMs 91501 Specdb::MsMs 91502 Specdb::MsMs 154899 Specdb::MsMs 154900 Specdb::MsMs 154901 Specdb::MsMs 2796131 Specdb::MsMs 2796132 Specdb::MsMs 2796133 Specdb::MsMs 2885549 Specdb::MsMs 2885550 Specdb::MsMs 2885551 HMDB36756 #<Reference:0x000055ce323f7bf8> Pulses Unknown generic