1.0 2010-04-08 22:12:12 UTC 2019-11-26 03:12:39 UTC FDB016036 Katononic acid Constituent of Sandoricum koetjape (santol). Katononic acid is found in fruits. 3-Oxo-12-oleanen-29-oic acid Katononic acid C30H46O3 454.6844 454.344695338 2,4a,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-2-carboxylic acid 2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1H-picene-2-carboxylic acid 76094-29-6 CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33) CGZZFWMLSVHLFZ-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 7.21 ALOGPS logs -6.06 ALOGPS solubility 3.96e-04 g/l ALOGPS melting_point Mp 246-249° logp 7.16 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 2,4a,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-2-carboxylic acid ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33) ChemAxon inchikey CGZZFWMLSVHLFZ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 132.8 ChemAxon polarizability 54.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19058 Specdb::CMs 45202 Specdb::CMs 174355 Specdb::MsMs 56400 Specdb::MsMs 56401 Specdb::MsMs 56402 Specdb::MsMs 111807 Specdb::MsMs 111808 Specdb::MsMs 111809 Specdb::MsMs 2329449 Specdb::MsMs 2329450 Specdb::MsMs 2329451 Specdb::MsMs 2636194 Specdb::MsMs 2636195 Specdb::MsMs 2636196 HMDB37054 #<Reference:0x000055ce3260f620> Fruits Unknown generic