1.0 2010-04-08 22:07:19 UTC 2025-11-18 23:02:53 UTC FDB006824 Epifriedelin Epifriedelin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Epifriedelin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Epifriedelin can be found in pear, which makes epifriedelin a potential biomarker for the consumption of this food product. C30H50O 426.7174 426.386166222 (4S,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-docosahydropicen-3-one (4S,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-tetradecahydro-1H-picen-3-one [H][C@@]12CCC(=O)[C@@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C 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/t20-,22-,23+,24-,26-,27-,28+,29-,30+/m1/s1 OFMXGFHWLZPCFL-ACRUQRPVSA-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 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 (4S,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-docosahydropicen-3-one ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles [H][C@@]12CCC(=O)[C@@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C 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/t20-,22-,23+,24-,26-,27-,28+,29-,30+/m1/s1 ChemAxon inchikey OFMXGFHWLZPCFL-ACRUQRPVSA-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 58032 Specdb::MsMs 58033 Specdb::MsMs 58034 Specdb::MsMs 113868 Specdb::MsMs 113869 Specdb::MsMs 113870 Specdb::MsMs 3603365 Specdb::MsMs 3603366 Specdb::MsMs 3603367 Specdb::MsMs 3604709 Specdb::MsMs 3604710 Specdb::MsMs 3604711 Pear Type 1 specific Pyrus communis 23211