1.0 2010-04-08 22:15:42 UTC 2019-11-26 03:20:23 UTC FDB021442 Tritriacontyl octacosanoate Constituent of Panax pseudoginseng sspecies himalaicus variety angustifolius. Tritriacontyl octacosanoate is found in tea. Tritriacontyl octacosanoate C61H122O2 887.6202 886.944483148 tritriacontyl octacosanoate tritriacontyl octacosanoate 105419-00-9 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C61H122O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-63-61(62)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3 INEGPTBZICBFNP-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 11.15 ALOGPS logs -7.90 ALOGPS solubility 1.11e-05 g/l ALOGPS melting_point Mp 75° logp 25.95 ChemAxon pka_strongest_basic -7 ChemAxon iupac tritriacontyl octacosanoate ChemAxon average_mass 887.6202 ChemAxon mono_mass 886.944483148 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C61H122O2 ChemAxon inchi InChI=1S/C61H122O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-63-61(62)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3 ChemAxon inchikey INEGPTBZICBFNP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 284.37 ChemAxon polarizability 130.46 ChemAxon rotatable_bond_count 59 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 288154 Specdb::MsMs 288155 Specdb::MsMs 288156 Specdb::MsMs 327181 Specdb::MsMs 327182 Specdb::MsMs 327183 Specdb::MsMs 2808593 Specdb::MsMs 2808594 Specdb::MsMs 2808595 Specdb::MsMs 2900139 Specdb::MsMs 2900140 Specdb::MsMs 2900141 HMDB41479 #<Reference:0x000055ce3280ddf0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442