1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:00 UTC FDB015660 ent-16a-Kauranol Isolated from sunflowers. ent-16a-Kauranol is found in fats and oils. ent-16a-Kauranol C20H34O 290.4834 290.26096571 5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol 5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol 5354-44-9 CC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3 InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3 FZSRMADKTOBCNT-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Organic oxygen compound Organooxygen compound Tertiary alcohol a diterpenoid logp 4.96 ALOGPS logs -6.17 ALOGPS solubility 1.96e-04 g/l ALOGPS melting_point Mp 210-211° logp 4.65 ChemAxon pka_strongest_acidic 19.85 ChemAxon pka_strongest_basic -0.68 ChemAxon iupac 5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol ChemAxon average_mass 290.4834 ChemAxon mono_mass 290.26096571 ChemAxon smiles CC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3 ChemAxon formula C20H34O ChemAxon inchi InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3 ChemAxon inchikey FZSRMADKTOBCNT-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 87.55 ChemAxon polarizability 35.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21085 Specdb::CMs 44998 Specdb::CMs 136098 Specdb::CMs 143832 Specdb::MsMs 7049 Specdb::MsMs 7050 Specdb::MsMs 7051 Specdb::MsMs 8063 Specdb::MsMs 8064 Specdb::MsMs 8065 Specdb::MsMs 13721 Specdb::MsMs 13722 Specdb::MsMs 13723 Specdb::MsMs 14735 Specdb::MsMs 14736 Specdb::MsMs 14737 Specdb::MsMs 2312123 Specdb::MsMs 2312124 Specdb::MsMs 2312125 Specdb::MsMs 2650934 Specdb::MsMs 2650935 Specdb::MsMs 2650936 HMDB36723 #<Reference:0x000055ce3071cb28> Fats and oils Unknown generic