1.0 2010-04-08 22:11:12 UTC 2019-11-26 03:09:50 UTC FDB014319 Mangiferonic acid Isolated from Mangifera indica (mango). Mangiferonic acid is found in mango and fruits. (24E)-3-Oxo-9,19-cyclolanost-24-en-26-oic acid 3-oxo-(24e)-9,19-Cyclolanost-24-en-26-Oic acid 9,19-Cyclolanost-24-en-26-oic acid, 3-oxo-, (24E)- Mangiferonic acid C30H46O3 454.6844 454.344695338 (2E)-2-methyl-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}hept-2-enoic acid (2E)-2-methyl-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}hept-2-enoic acid 13878-90-5 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+ MZPNVEOVZSHYMZ-AWQFTUOYSA-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 6.17 ALOGPS logs -6.87 ALOGPS solubility 6.11e-05 g/l ALOGPS melting_point Mp 187-189° logp 7.3 ChemAxon pka_strongest_acidic 4.77 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac (2E)-2-methyl-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}hept-2-enoic acid ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+ ChemAxon inchikey MZPNVEOVZSHYMZ-AWQFTUOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 132.93 ChemAxon polarizability 54.88 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16120 Specdb::CMs 44451 Specdb::CMs 137863 Specdb::CMs 145597 Specdb::MsMs 83715 Specdb::MsMs 83716 Specdb::MsMs 83717 Specdb::MsMs 145374 Specdb::MsMs 145375 Specdb::MsMs 145376 Specdb::MsMs 2803875 Specdb::MsMs 2803876 Specdb::MsMs 2803877 Specdb::MsMs 2875121 Specdb::MsMs 2875122 Specdb::MsMs 2875123 HMDB35615 #<Reference:0x000055ce30622ec0> Fruits Unknown generic Mango Type 1 specific Mangifera indica 29780