1.0 2010-04-08 22:07:18 UTC 2025-11-18 23:02:49 UTC FDB006786 Friedooleanan-3-one Friedelin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Friedelin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Friedelin can be found in a number of food items such as apple, pear, mammee apple, and sugar apple, which makes friedelin a potential biomarker for the consumption of these food products. Friedelin is a triterpenoid chemical compound found in Azima tetracantha, Orostachys japonica, and Quercus stenophylla. Friedelin is also found in the roots of the Cannabis plant . C30H50O 426.7174 426.386166222 4,4a,6b,8a,11,11,12b,14a-octamethyl-docosahydropicen-3-one friedelin CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3 OFMXGFHWLZPCFL-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 Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid a triterpenoid logp 6.66 ALOGPS logs -7.15 ALOGPS solubility 3.01e-05 g/l ALOGPS logp 8.12 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 4,4a,6b,8a,11,11,12b,14a-octamethyl-docosahydropicen-3-one ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3 ChemAxon inchikey OFMXGFHWLZPCFL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 130.21 ChemAxon polarizability 53.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58905 Specdb::MsMs 58906 Specdb::MsMs 58907 Specdb::MsMs 114933 Specdb::MsMs 114934 Specdb::MsMs 114935 Specdb::MsMs 3435212 Specdb::MsMs 3435213 Specdb::MsMs 3435214 Specdb::MsMs 3435215 Specdb::MsMs 3435216 Specdb::MsMs 3435217 Specdb::CMs 106650 Specdb::CMs 118893 Pomegranate Type 1 specific Punica granatum 22663