1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:08 UTC FDB013221 Yucalexin B9 Constituent of cassava root Manihot esculenta. Yucalexin B9 is found in root vegetables. ent-3b-Hydroxy-15-beyerene-2,12-dione Yucalexin B9 C20H28O3 316.4345 316.203844762 6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione 6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione 35470-61-2 CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1=O)C=C2 InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3 KVDLINJXYLXARR-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Beyerane diterpenoid Carbonyl group Cyclic alcohol Cyclic ketone Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.65 ALOGPS logs -4.15 ALOGPS solubility 2.24e-02 g/l ALOGPS melting_point Mp 163-165.5° logp 3.05 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1=O)C=C2 ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3 ChemAxon inchikey KVDLINJXYLXARR-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 89.58 ChemAxon polarizability 35.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10558 Specdb::CMs 44002 Specdb::CMs 148871 Specdb::MsMs 54915 Specdb::MsMs 54916 Specdb::MsMs 54917 Specdb::MsMs 143868 Specdb::MsMs 143869 Specdb::MsMs 143870 Specdb::MsMs 2364466 Specdb::MsMs 2364467 Specdb::MsMs 2364468 Specdb::MsMs 2597299 Specdb::MsMs 2597300 Specdb::MsMs 2597301 HMDB34691 #<Reference:0x000055ce31ee90a8> Root vegetables Unknown generic