1.0 2010-04-08 22:15:17 UTC 2025-11-19 02:34:01 UTC FDB020831 3-Epimasticadienolic acid Isolated from terebinth (Pistacia terebinthus). 3-Epimasticadienolic acid is found in fruits. 3-Epimasticadienolic acid C30H48O3 456.7003 456.360345402 (2E)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-14-yl}-2-methylhept-2-enoic acid (2E)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-14-yl}-2-methylhept-2-enoic acid CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+ UILQHUKSFUOOLH-KEBDBYFISA-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-hydroxy delta-7-steroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Secondary alcohols Steroid acids Unsaturated fatty acids 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cholane-skeleton Cyclic alcohol Delta-7-steroid 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 Secondary alcohol Steroid Steroid acid Triterpenoid Unsaturated fatty acid logp 7.46 ALOGPS logs -6.14 ALOGPS solubility 3.30e-04 g/l ALOGPS melting_point Mp 122-123° (Me ester) logp 6.94 ChemAxon pka_strongest_acidic 4.81 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (2E)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-14-yl}-2-methylhept-2-enoic acid ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+ ChemAxon inchikey UILQHUKSFUOOLH-KEBDBYFISA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 136.53 ChemAxon polarizability 54.77 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18099 Specdb::CMs 47045 Specdb::CMs 137932 Specdb::CMs 145666 Specdb::MsMs 306115 Specdb::MsMs 306116 Specdb::MsMs 306117 Specdb::MsMs 349657 Specdb::MsMs 349658 Specdb::MsMs 349659 Specdb::MsMs 2281780 Specdb::MsMs 2281781 Specdb::MsMs 2281782 Specdb::MsMs 3083890 Specdb::MsMs 3083891 Specdb::MsMs 3083892 HMDB0040976 Fruits Unknown generic