1.0 2010-04-08 22:12:02 UTC 2019-11-26 03:12:09 UTC FDB015747 ent-16b,19-Kauranediol 19-acetate Isolated from sunflowers. ent-16b,19-Kauranediol 19-acetate is found in fats and oils. 16,19-Kauranediol 19-acetate 16beta-Kaurane-16,19-diol 19-acetate ent-16beta,19-Kauranediol 19-acetate ent-Kaurane-16beta,19-diol 19-acetate Kaurane-16,19-diol 19-acetate Kaurane-16b,19-diol 19-acetate C22H36O3 348.5194 348.266445018 {14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate {14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate 30320-70-8 CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4(C)O)CCC12 InChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3 AELNFENJKQXLPW-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 acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 4.04 ALOGPS logs -5.63 ALOGPS solubility 8.14e-04 g/l ALOGPS logp 3.81 ChemAxon pka_strongest_acidic 19.85 ChemAxon pka_strongest_basic -0.68 ChemAxon iupac {14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate ChemAxon average_mass 348.5194 ChemAxon mono_mass 348.266445018 ChemAxon smiles CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4(C)O)CCC12 ChemAxon formula C22H36O3 ChemAxon inchi InChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3 ChemAxon inchikey AELNFENJKQXLPW-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 98.48 ChemAxon polarizability 41.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15602 Specdb::CMs 45044 Specdb::CMs 134401 Specdb::CMs 142135 Specdb::MsMs 55212 Specdb::MsMs 55213 Specdb::MsMs 55214 Specdb::MsMs 110313 Specdb::MsMs 110314 Specdb::MsMs 110315 Specdb::MsMs 2364715 Specdb::MsMs 2364716 Specdb::MsMs 2364717 Specdb::MsMs 2597521 Specdb::MsMs 2597522 Specdb::MsMs 2597523 HMDB36801 #<Reference:0x000055ce30253358> Fats and oils Unknown generic