1.0 2010-04-08 22:11:41 UTC 2019-11-26 03:11:14 UTC FDB015170 ent-16b-Methoxy-19-kauranoic acid Constituent of Annona glabra (pond apple). ent-16b-Methoxy-19-kauranoic acid is found in alcoholic beverages and fruits. 16-Methoxy-19-kauranoic acid 16b-Methoxy-ent-kauran-19-oic acid ent-16b-Methoxy-19-kauranoic acid C21H34O3 334.4929 334.250794954 14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 38308-35-9 COC1(C)CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23) VYVVNCBNYVCVGC-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 Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.33 ALOGPS logs -5.76 ALOGPS solubility 5.79e-04 g/l ALOGPS melting_point Mp 216-219° logp 4.48 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid ChemAxon average_mass 334.4929 ChemAxon mono_mass 334.250794954 ChemAxon smiles COC1(C)CC23CC1CCC2C1(C)CCCC(C)(C1CC3)C(O)=O ChemAxon formula C21H34O3 ChemAxon inchi InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23) ChemAxon inchikey VYVVNCBNYVCVGC-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 94.02 ChemAxon polarizability 39.09 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11504 Specdb::MsMs 11505 Specdb::MsMs 11506 Specdb::MsMs 18176 Specdb::MsMs 18177 Specdb::MsMs 18178 Specdb::MsMs 2749810 Specdb::MsMs 2749811 Specdb::MsMs 2749812 Specdb::MsMs 2928718 Specdb::MsMs 2928719 Specdb::MsMs 2928720 Specdb::CMs 26350 Specdb::CMs 44797 Specdb::CMs 162838 HMDB36302 #<Reference:0x000055ce32535628> Alcoholic beverages Unknown generic Fruits Unknown generic