1.0 2010-04-08 22:13:30 UTC 2019-11-26 03:15:42 UTC FDB018092 ent-15b,16b-Epoxy-2a,3b-kauranediol Isolated from leaves of a blight-resistant rice cultivariety ent-15b,16b-Epoxy-2a,3b-kauranediol is found in cereals and cereal products. C20H32O3 320.4663 320.23514489 5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecane-6,7-diol 5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecane-6,7-diol 140636-08-4 CC12OC1C13CC2CCC1C1(C)CC(O)C(O)C(C)(C)C1CC3 InChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3 HFKTUZJPXRDTKA-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 heteropolycyclic compounds 1,2-diols Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxanes Secondary alcohols 1,2-diol Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Kaurane diterpenoid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Secondary alcohol logp 2.53 ALOGPS logs -3.74 ALOGPS solubility 5.87e-02 g/l ALOGPS melting_point Mp 179-180° logp 2.59 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecane-6,7-diol ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CC12OC1C13CC2CCC1C1(C)CC(O)C(O)C(C)(C)C1CC3 ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3 ChemAxon inchikey HFKTUZJPXRDTKA-UHFFFAOYSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 88.13 ChemAxon polarizability 36.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20872 Specdb::CMs 45979 Specdb::CMs 132968 Specdb::CMs 140702 Specdb::MsMs 85347 Specdb::MsMs 85348 Specdb::MsMs 85349 Specdb::MsMs 147432 Specdb::MsMs 147433 Specdb::MsMs 147434 Specdb::MsMs 2680623 Specdb::MsMs 2680624 Specdb::MsMs 2680625 Specdb::MsMs 3025644 Specdb::MsMs 3025645 Specdb::MsMs 3025646 HMDB38688 #<Reference:0x000055ce31e30b98> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic