1.0 2010-04-08 22:10:29 UTC 2025-11-18 23:40:36 UTC FDB013007 Echinocystic acid Echinocystic acid, also known as echinocystate, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Echinocystic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Echinocystic acid can be found in sunflower, which makes echinocystic acid a potential biomarker for the consumption of this food product. (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid 3beta, 16alpha-dihydroxy-oleanane-12:13-ene-28-oic acid Albizziagenin Cochalic acid Echinocystic acid C30H48O4 472.6997 472.355260024 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 510-30-5 CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) YKOPWPOFWMYZJZ-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.83 ALOGPS logs -5.16 ALOGPS solubility 3.28e-03 g/l ALOGPS melting_point Mp 305-312° dec. logp 5.36 ChemAxon pka_strongest_acidic 4.61 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 472.6997 ChemAxon mono_mass 472.355260024 ChemAxon smiles CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O ChemAxon formula C30H48O4 ChemAxon inchi InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) ChemAxon inchikey YKOPWPOFWMYZJZ-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 135.14 ChemAxon polarizability 55.91 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88299 Specdb::MsMs 88300 Specdb::MsMs 88301 Specdb::MsMs 150996 Specdb::MsMs 150997 Specdb::MsMs 150998 Specdb::MsMs 3431232 Specdb::MsMs 3431233 Specdb::MsMs 3431234 Specdb::MsMs 3431235 Specdb::MsMs 3431236 Specdb::MsMs 3431237 Specdb::CMs 108428 Specdb::CMs 120997 Specdb::CMs 876394 Specdb::CMs 876395 Specdb::CMs 876396 Specdb::CMs 876397 Specdb::CMs 876398 Specdb::CMs 876399 Specdb::CMs 876400 Specdb::CMs 876401 Specdb::CMs 876402 Specdb::CMs 876403 Specdb::CMs 876404 Specdb::CMs 876405 Specdb::CMs 876406 Specdb::CMs 876407 604053 Sunflower Type 1 specific Helianthus annuus 4232