1.0 2010-04-08 22:11:58 UTC 2019-11-26 03:12:00 UTC FDB015658 ent-17-Hydroxy-16b-kauran-19-al Isolated from Annona squamosa (sugar apple). ent-17-Hydroxy-16b-kauran-19-al is found in fruits. 16b-Hydro-17-Hydroxy-ent-kauran-19-al ent-17-Hydroxy-16b-kauran-19-al C20H32O2 304.4669 304.240230268 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carbaldehyde 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carbaldehyde 41756-43-8 CC1(CCCC2(C)C3CCC4CC3(CC4CO)CCC12)C=O InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3 ACXLVKYMISNUFD-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 Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Hydrocarbon derivative Kaurane diterpenoid Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 4.08 ALOGPS logs -5.62 ALOGPS solubility 7.25e-04 g/l ALOGPS melting_point Mp 148° logp 3.64 ChemAxon pka_strongest_acidic 17.91 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carbaldehyde ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles CC1(CCCC2(C)C3CCC4CC3(CC4CO)CCC12)C=O ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3 ChemAxon inchikey ACXLVKYMISNUFD-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 88.51 ChemAxon polarizability 36.19 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19993 Specdb::CMs 44997 Specdb::CMs 164853 Specdb::MsMs 109377 Specdb::MsMs 109378 Specdb::MsMs 109379 Specdb::MsMs 176805 Specdb::MsMs 176806 Specdb::MsMs 176807 Specdb::MsMs 2464425 Specdb::MsMs 2464426 Specdb::MsMs 2464427 Specdb::MsMs 2500970 Specdb::MsMs 2500971 Specdb::MsMs 2500972 HMDB36721 #<Reference:0x000055ce302772d0> Fruits Unknown generic