1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:05 UTC FDB010762 Octacosyl triacontanoate Constituent of Solanum torvum (pea eggplant). Octacosyl triacontanoate is found in fruits. Octacosyl triacontanoate C58H116O2 845.5404 844.897532956 octacosyl triacontanoate octacosyl triacontanoate 87538-97-4 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3 QYVJNQWOLBGEOX-UHFFFAOYSA-N belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position. Wax monoesters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty alcohol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoester skeleton logp 11.20 ALOGPS logs -7.93 ALOGPS solubility 1.00e-05 g/l ALOGPS melting_point Mp 70° logp 24.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac octacosyl triacontanoate ChemAxon average_mass 845.5404 ChemAxon mono_mass 844.897532956 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C58H116O2 ChemAxon inchi InChI=1S/C58H116O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58(59)60-57-55-53-51-49-47-45-43-41-39-37-35-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3 ChemAxon inchikey QYVJNQWOLBGEOX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 270.56 ChemAxon polarizability 124.02 ChemAxon rotatable_bond_count 56 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103446 Specdb::MsMs 103447 Specdb::MsMs 103448 Specdb::MsMs 169494 Specdb::MsMs 169495 Specdb::MsMs 169496 Specdb::MsMs 2468512 Specdb::MsMs 2468513 Specdb::MsMs 2468514 Specdb::MsMs 2497958 Specdb::MsMs 2497959 Specdb::MsMs 2497960 HMDB32790 #<Reference:0x000055ce3211d400> Fruits Unknown generic