1.0 2010-04-08 22:11:58 UTC 2025-11-19 00:57:06 UTC FDB015648 Yucalexin B20 Constituent of cassava Manihot esculenta. Yucalexin B20 is found in root vegetables. ent-3b,12a-Dihydroxy-15-beyeren-2-one Yucalexin B20 C20H30O3 318.4504 318.219494826 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-7-one 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-7-one 119679-04-8 CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C=C2 InChI=1S/C20H30O3/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/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3 RFHATUKAQMWSEN-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 2.50 ALOGPS logs -3.79 ALOGPS solubility 5.18e-02 g/l ALOGPS logp 2.49 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac 6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-7-one ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC12CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C=C2 ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/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/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3 ChemAxon inchikey RFHATUKAQMWSEN-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 90.41 ChemAxon polarizability 36.32 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13138 Specdb::CMs 44991 Specdb::CMs 150390 Specdb::MsMs 64185 Specdb::MsMs 64186 Specdb::MsMs 64187 Specdb::MsMs 121266 Specdb::MsMs 121267 Specdb::MsMs 121268 Specdb::MsMs 2786161 Specdb::MsMs 2786162 Specdb::MsMs 2786163 Specdb::MsMs 2923135 Specdb::MsMs 2923136 Specdb::MsMs 2923137 HMDB0036712 Root vegetables Unknown generic