1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:48 UTC FDB014822 Ursonic acid Constituent of dammar resin and blackberry whole plant. Ursonic acid is found in fruits. 3-Oxo-12-ursen-28-oic acid 3-oxo-Urs-12-en-28-Oic acid 3-Oxours-12-en-28-oic acid Bipindaloside Urs-12-en-28-oic acid, 3-oxo- Ursonic acid C30H46O3 454.6844 454.344695338 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 6246-46-4 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33) MUCRYNWJQNHDJH-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 Carboxylic acids Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.66 ALOGPS logs -6.04 ALOGPS solubility 4.16e-04 g/l ALOGPS melting_point Mp 270-275° dec. logp 7.15 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-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 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33) ChemAxon inchikey MUCRYNWJQNHDJH-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 132.88 ChemAxon polarizability 54.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17811 Specdb::CMs 44683 Specdb::CMs 159002 Specdb::MsMs 90402 Specdb::MsMs 90403 Specdb::MsMs 90404 Specdb::MsMs 153549 Specdb::MsMs 153550 Specdb::MsMs 153551 Specdb::MsMs 2373507 Specdb::MsMs 2373508 Specdb::MsMs 2373509 Specdb::MsMs 2566082 Specdb::MsMs 2566083 Specdb::MsMs 2566084 HMDB36007 #<Reference:0x000055ce2f297b58> Fruits Unknown generic