1.0 2010-04-08 22:13:30 UTC 2019-11-26 03:15:42 UTC FDB018093 (ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol Isolated from leaves of a blight-resistant rice cultivariety (ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol is found in cereals and cereal products. 4-((6-Amino-2-quinoxalinyl)amino)benzonitrile C20H32O3 320.4663 320.23514489 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-6,7,15-triol 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-6,7,15-triol 140636-09-5 CC1(C)C(O)C(O)CC2(C)C3CCC4CC3(CCC12)C(O)C4=C InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)10-13(21)17(23)18(2,3)14(19)7-8-20(15,9-12)16(11)22/h12-17,21-23H,1,5-10H2,2-4H3 RSUQJXHMFVYBBS-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 Polyols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 2.16 ALOGPS logs -3.03 ALOGPS solubility 3.00e-01 g/l ALOGPS melting_point Mp 191-192° logp 2.24 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -0.74 ChemAxon iupac 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-6,7,15-triol ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CC1(C)C(O)C(O)CC2(C)C3CCC4CC3(CCC12)C(O)C4=C ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)10-13(21)17(23)18(2,3)14(19)7-8-20(15,9-12)16(11)22/h12-17,21-23H,1,5-10H2,2-4H3 ChemAxon inchikey RSUQJXHMFVYBBS-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 89.88 ChemAxon polarizability 36.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18288 Specdb::CMs 45980 Specdb::CMs 164551 Specdb::MsMs 93282 Specdb::MsMs 93283 Specdb::MsMs 93284 Specdb::MsMs 157023 Specdb::MsMs 157024 Specdb::MsMs 157025 Specdb::MsMs 2401427 Specdb::MsMs 2401428 Specdb::MsMs 2401429 Specdb::MsMs 2533530 Specdb::MsMs 2533531 Specdb::MsMs 2533532 HMDB38689 #<Reference:0x000055ce3216dec8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic