1.0 2010-04-08 22:09:32 UTC 2025-11-18 23:25:27 UTC FDB011226 (3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid Constituent of Schinus molle (California peppertree). (3alpha,20R,24Z)-3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid is found in beverages and fruits. C30H46O4 470.6838 470.33960996 (2Z)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-7-oxohept-2-enoic acid (2Z)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-7-oxohept-2-enoic acid 195204-05-8 C\C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8- VYZGQLBKGMFPIP-UWVJOHFNSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 3-hydroxysteroids Aldehydes Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Oxosteroids Secondary alcohols Steroid acids Unsaturated fatty acids 21-oxosteroid 22-oxosteroid 3-hydroxysteroid Alcohol Aldehyde Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Steroid Steroid acid Triterpenoid Unsaturated fatty acid logp 6.07 ALOGPS logs -5.51 ALOGPS solubility 1.46e-03 g/l ALOGPS logp 5.68 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (2Z)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-7-oxohept-2-enoic acid ChemAxon average_mass 470.6838 ChemAxon mono_mass 470.33960996 ChemAxon smiles C\C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O ChemAxon formula C30H46O4 ChemAxon inchi InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8- ChemAxon inchikey VYZGQLBKGMFPIP-UWVJOHFNSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 137.03 ChemAxon polarizability 56.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51207 Specdb::MsMs 51208 Specdb::MsMs 51209 Specdb::MsMs 113655 Specdb::MsMs 113656 Specdb::MsMs 113657 Specdb::MsMs 2292039 Specdb::MsMs 2292040 Specdb::MsMs 2292041 Specdb::MsMs 2646168 Specdb::MsMs 2646169 Specdb::MsMs 2646170 Specdb::CMs 20040 Specdb::CMs 43143 Specdb::CMs 147994 HMDB0033213 Beverages Unknown generic Fruits Unknown generic