1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:04 UTC FDB014453 Mangiferolic acid Constituent of Mangifera indica (mango). Mangiferolic acid is found in mango and fruits. Mangiferolic acid C30H48O3 456.7003 456.360345402 (2E)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid (2E)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid 13878-92-7 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C InChI=1S/C30H48O3/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/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+ CYHOTEDWAOHQLA-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-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Secondary alcohols Steroid acids Triterpenoids Unsaturated fatty acids 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid acid Triterpenoid Unsaturated fatty acid logp 5.89 ALOGPS logs -6.63 ALOGPS solubility 1.08e-04 g/l ALOGPS melting_point Mp 181-183° logp 6.74 ChemAxon pka_strongest_acidic 4.77 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (2E)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(O)C4(C)C ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/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/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+ ChemAxon inchikey CYHOTEDWAOHQLA-AWQFTUOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.75 ChemAxon polarizability 55.95 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10702 Specdb::CMs 44201 Specdb::CMs 153074 Specdb::MsMs 69831 Specdb::MsMs 69832 Specdb::MsMs 69833 Specdb::MsMs 128193 Specdb::MsMs 128194 Specdb::MsMs 128195 Specdb::MsMs 2271885 Specdb::MsMs 2271886 Specdb::MsMs 2271887 Specdb::MsMs 3067643 Specdb::MsMs 3067644 Specdb::MsMs 3067645 HMDB35119 #<Reference:0x000055ce3301da18> Fruits Unknown generic Mango Type 1 specific Mangifera indica 29780