1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:03 UTC FDB015692 Yucalexin P21 Constituent of cassava roots (Manihot esculenta). Yucalexin P21 is found in root vegetables. Yucalexin P21 C20H32O2 304.4669 304.240230268 7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,6-diol 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol 119626-54-9 CC1(C)C(O)CCC2(C)C3CC(O)C(C)(C=C)C=C3CCC12 InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3 BXDBZZUQTQKCEI-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 Hydrocarbon derivatives Hydrophenanthrenes Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Diterpenoid Hydrocarbon derivative Hydrophenanthrene Organic oxygen compound Organooxygen compound Phenanthrene Pimarane diterpenoid Secondary alcohol logp 3.64 ALOGPS logs -4.28 ALOGPS solubility 1.61e-02 g/l ALOGPS melting_point Mp 169° logp 3.41 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.51 ChemAxon iupac 7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,6-diol ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles CC1(C)C(O)CCC2(C)C3CC(O)C(C)(C=C)C=C3CCC12 ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3 ChemAxon inchikey BXDBZZUQTQKCEI-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 91.65 ChemAxon polarizability 36.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24498 Specdb::CMs 45017 Specdb::CMs 147887 Specdb::MsMs 74382 Specdb::MsMs 74383 Specdb::MsMs 74384 Specdb::MsMs 133755 Specdb::MsMs 133756 Specdb::MsMs 133757 Specdb::MsMs 3035291 Specdb::MsMs 3035292 Specdb::MsMs 3035293 Specdb::MsMs 3104993 Specdb::MsMs 3104994 Specdb::MsMs 3104995 HMDB36754 #<Reference:0x000055ce327e5d28> Root vegetables Unknown generic