1.0 2010-04-08 22:11:57 UTC 2019-11-26 03:11:58 UTC FDB015630 Yucalexin B'11 Constituent of cassava roots (Manihot esculenta). Yucalexin B'11 is found in root vegetables. Yucalexin B'11 C19H26O3 302.4079 302.188194698 7-hydroxy-5,5,8,12-tetramethyltetracyclo[10.2.1.0¹,⁹.0⁴,⁸]pentadec-13-ene-6,11-dione 7-hydroxy-5,5,8,12-tetramethyltetracyclo[10.2.1.0¹,⁹.0⁴,⁸]pentadec-13-ene-6,11-dione 119642-80-7 CC1(C)C2CCC34CC(C)(C=C3)C(=O)CC4C2(C)C(O)C1=O InChI=1S/C19H26O3/c1-16(2)11-5-6-19-8-7-17(3,10-19)13(20)9-12(19)18(11,4)15(22)14(16)21/h7-8,11-12,15,22H,5-6,9-10H2,1-4H3 BSGGRZQAABTTBE-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cyclic alcohols and derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Secondary alcohol logp 2.32 ALOGPS logs -3.89 ALOGPS solubility 3.90e-02 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_acidic 12.94 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-hydroxy-5,5,8,12-tetramethyltetracyclo[10.2.1.0¹,⁹.0⁴,⁸]pentadec-13-ene-6,11-dione ChemAxon average_mass 302.4079 ChemAxon mono_mass 302.188194698 ChemAxon smiles CC1(C)C2CCC34CC(C)(C=C3)C(=O)CC4C2(C)C(O)C1=O ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/c1-16(2)11-5-6-19-8-7-17(3,10-19)13(20)9-12(19)18(11,4)15(22)14(16)21/h7-8,11-12,15,22H,5-6,9-10H2,1-4H3 ChemAxon inchikey BSGGRZQAABTTBE-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 85.04 ChemAxon polarizability 33.68 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14697 Specdb::CMs 44979 Specdb::CMs 149412 Specdb::MsMs 11573 Specdb::MsMs 11574 Specdb::MsMs 11575 Specdb::MsMs 18245 Specdb::MsMs 18246 Specdb::MsMs 18247 Specdb::MsMs 2845049 Specdb::MsMs 2845050 Specdb::MsMs 2845051 Specdb::MsMs 2860987 Specdb::MsMs 2860988 Specdb::MsMs 2860989 HMDB36696 #<Reference:0x000055ce320fe2f8> Root vegetables Unknown generic