1.0 2010-04-08 22:10:30 UTC 2019-11-26 03:07:56 UTC FDB013057 Medicagenic acid Aglycone from the roots of Medicago sativa (alfalfa), other Medicago subspecies Medicagenic acid is found in cereals and cereal products. 2-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acid Catsanogenin Medicagenic acid Medicogenic acid C30H46O6 502.6826 502.329439204 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 599-07-5 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36) IDGXIXSKISLYAC-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 1,2-diols 12-hydroxysteroids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols 1,2-diol 12-hydroxysteroid 15-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxysteroid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid logp 4.15 ALOGPS logs -4.92 ALOGPS solubility 6.10e-03 g/l ALOGPS melting_point Mp 352-353° logp 4.71 ChemAxon pka_strongest_acidic 4.28 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid ChemAxon average_mass 502.6826 ChemAxon mono_mass 502.329439204 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O ChemAxon formula C30H46O6 ChemAxon inchi InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36) ChemAxon inchikey IDGXIXSKISLYAC-UHFFFAOYSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 136.7 ChemAxon polarizability 56.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13507 Specdb::CMs 43921 Specdb::MsMs 10157 Specdb::MsMs 10158 Specdb::MsMs 10159 Specdb::MsMs 12659 Specdb::MsMs 12660 Specdb::MsMs 12661 Specdb::MsMs 16829 Specdb::MsMs 16830 Specdb::MsMs 16831 Specdb::MsMs 19331 Specdb::MsMs 19332 Specdb::MsMs 19333 Specdb::MsMs 2675323 Specdb::MsMs 2675324 Specdb::MsMs 2675325 Specdb::MsMs 3033470 Specdb::MsMs 3033471 Specdb::MsMs 3033472 HMDB34551 #<Reference:0x000055ce31bd9200> Alfalfa Type 1 specific Medicago sativa 3879 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic