1.0 2010-04-08 22:11:22 UTC 2025-11-19 00:48:12 UTC FDB014605 Taraxasterol palmitate Taraxasterol palmitate is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Taraxasterol palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Taraxasterol palmitate can be found in burdock, which makes taraxasterol palmitate a potential biomarker for the consumption of this food product. Taraxasterol palmitate C46H80O2 665.1262 664.615831804 4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-docosahydropicen-3-yl hexadecanoate 4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-hexadecahydropicen-3-yl hexadecanoate 29803-90-5 CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(=C)CCC4(C)CCC32C)C1(C)C InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3 DXQGVZZURAURRK-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 10.15 ALOGPS logs -7.70 ALOGPS solubility 1.32e-05 g/l ALOGPS logp 14.37 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-docosahydropicen-3-yl hexadecanoate ChemAxon average_mass 665.1262 ChemAxon mono_mass 664.615831804 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(=C)CCC4(C)CCC32C)C1(C)C ChemAxon formula C46H80O2 ChemAxon inchi InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3 ChemAxon inchikey DXQGVZZURAURRK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 204.5 ChemAxon polarizability 88.6 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56760 Specdb::MsMs 56761 Specdb::MsMs 56762 Specdb::MsMs 112275 Specdb::MsMs 112276 Specdb::MsMs 112277 Specdb::MsMs 3605719 Specdb::MsMs 3605720 Specdb::MsMs 3605721 Specdb::MsMs 3605722 Specdb::MsMs 3605723 Specdb::MsMs 3605724 Burdock Type 1 specific Arctium lappa 4217