1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:36 UTC FDB013558 beta-Elemonic acid Constituent of elemi resin. Flavouring agent. beta-Elemonic acid is found in herbs and spices. 3-Oxotirucalla-8,24-dien-21-oic acid b-Elemonic acid Beta-elemonic acid d-Elemic acid Elemadienonic acid C30H46O3 454.6844 454.344695338 6-methyl-2-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-5-enoic acid 6-methyl-2-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-5-enoic acid 28282-25-9 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O InChI=1S/C30H46O3/c1-19(2)9-8-10-20(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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33) XLPAINGDLCDYQV-UHFFFAOYSA-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-oxosteroids Bile acids, alcohols and derivatives Carboxylic acids Cyclic ketones Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Steroid acids Unsaturated fatty acids 3-oxosteroid Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Fatty acid Fatty acyl Hydrocarbon derivative Ketone Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Steroid Steroid acid Triterpenoid Unsaturated fatty acid logp 7.11 ALOGPS logs -5.53 ALOGPS solubility 1.34e-03 g/l ALOGPS melting_point Mp 224-225° logp 7.21 ChemAxon pka_strongest_acidic 4.85 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 6-methyl-2-{2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}hept-5-enoic acid ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-19(2)9-8-10-20(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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33) ChemAxon inchikey XLPAINGDLCDYQV-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 135.41 ChemAxon polarizability 55.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17695 Specdb::CMs 44114 Specdb::CMs 166142 Specdb::MsMs 7856 Specdb::MsMs 7857 Specdb::MsMs 7858 Specdb::MsMs 12227 Specdb::MsMs 12228 Specdb::MsMs 12229 Specdb::MsMs 14528 Specdb::MsMs 14529 Specdb::MsMs 14530 Specdb::MsMs 18899 Specdb::MsMs 18900 Specdb::MsMs 18901 Specdb::MsMs 2687198 Specdb::MsMs 2687199 Specdb::MsMs 2687200 Specdb::MsMs 2991728 Specdb::MsMs 2991729 Specdb::MsMs 2991730 HMDB34963 #<Reference:0x000055ce3196f820> Herbs and Spices Unknown generic