1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:44 UTC FDB014776 Ambonic acid Constituent of Mangifera indica (mango). Ambonic acid is found in mango and fruits. Ambonic acid C31H48O3 468.711 468.360345402 2-methyl-3-methylidene-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}heptanoic acid 2-methyl-3-methylidene-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}heptanoic acid 17984-17-7 CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C InChI=1S/C31H48O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-24H,1,8-18H2,2-7H3,(H,33,34) HTNUCKDQVIZWMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aliphatic homopolycyclic compounds 3-oxosteroids Bile acids, alcohols and derivatives Carboxylic acids Cyclic ketones Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Steroid acids Triterpenoids Unsaturated fatty acids 3-oxosteroid 9b,19-cyclo-lanostane-skeleton Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Cycloartane-skeleton Cycloartanol-skeleton Fatty acid Fatty acyl Hydrocarbon derivative Ketone Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Steroid acid Triterpenoid Unsaturated fatty acid logp 5.90 ALOGPS logs -6.71 ALOGPS solubility 9.24e-05 g/l ALOGPS melting_point Mp 149-150° logp 7.39 ChemAxon pka_strongest_acidic 4.63 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 2-methyl-3-methylidene-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}heptanoic acid ChemAxon average_mass 468.711 ChemAxon mono_mass 468.360345402 ChemAxon smiles CC(CCC(=C)C(C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C ChemAxon formula C31H48O3 ChemAxon inchi InChI=1S/C31H48O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-24H,1,8-18H2,2-7H3,(H,33,34) ChemAxon inchikey HTNUCKDQVIZWMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 136.38 ChemAxon polarizability 56.31 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15671 Specdb::CMs 44663 Specdb::CMs 155935 Specdb::MsMs 107043 Specdb::MsMs 107044 Specdb::MsMs 107045 Specdb::MsMs 173919 Specdb::MsMs 173920 Specdb::MsMs 173921 Specdb::MsMs 2347778 Specdb::MsMs 2347779 Specdb::MsMs 2347780 Specdb::MsMs 2587360 Specdb::MsMs 2587361 Specdb::MsMs 2587362 HMDB35972 #<Reference:0x000055ce330a7bc8> Fruits Unknown generic Mango Type 1 specific Mangifera indica 29780