1.0 2010-04-08 22:10:34 UTC 2025-11-18 23:42:00 UTC FDB013178 Katonic acid Constituent of Sandoricum koetjape (santol). Katonic acid is found in fruits. Katonic acid Olean-12-en-29-oic acid, 3-hydroxy-, (3alpha,20alpha)- (9CI) C30H48O3 456.7003 456.360345402 (2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bR)-10-hydroxy-2,4a,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-2-carboxylic acid (2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-carboxylic acid 6894-46-8 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1 JZFSMVXQUWRSIW-MCLQAGPZSA-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 Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 7.19 ALOGPS logs -5.92 ALOGPS solubility 5.50e-04 g/l ALOGPS melting_point Mp 285-287° (275-278°) logp 6.59 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bR)-10-hydroxy-2,4a,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-2-carboxylic acid ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1 ChemAxon inchikey JZFSMVXQUWRSIW-MCLQAGPZSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.62 ChemAxon polarizability 54.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11558 Specdb::CMs 43973 Specdb::CMs 173953 Specdb::MsMs 79686 Specdb::MsMs 79687 Specdb::MsMs 79688 Specdb::MsMs 140334 Specdb::MsMs 140335 Specdb::MsMs 140336 Specdb::MsMs 2308671 Specdb::MsMs 2308672 Specdb::MsMs 2308673 Specdb::MsMs 2654288 Specdb::MsMs 2654289 Specdb::MsMs 2654290 HMDB34654 #<Reference:0x000055ce2d051968> Fruits Unknown generic