1.0 2011-03-17 23:27:13 UTC 2025-11-19 02:39:08 UTC FDB021696 3,11,13-Oleananetriol (3beta,11alpha,13beta)-3,11,13-oleananetriol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units (3beta,11alpha,13beta)-3,11,13-oleananetriol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3beta,11alpha,13beta)-3,11,13-oleananetriol can be found in nuts, which makes (3beta,11alpha,13beta)-3,11,13-oleananetriol a potential biomarker for the consumption of this food product. 3,11,13-Oleananetriol C30H52O3 460.7321 460.39164553 4,4,6a,6b,8a,11,11,14b-octamethyl-docosahydropicene-3,12b,14-triol 4,4,6a,6b,8a,11,11,14b-octamethyl-tetradecahydro-1H-picene-3,12b,14-triol CC1(C)CCC2(C)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C(O)CC3(O)C2C1 InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3 PVMLWBWORNCCPQ-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 alcohols and derivatives Hydrocarbon derivatives Polyols Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol Triterpenoid logp 5.32 ALOGPS logs -5.62 ALOGPS solubility 1.09e-03 g/l ALOGPS logp 5.35 ChemAxon pka_strongest_acidic 14 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4,4,6a,6b,8a,11,11,14b-octamethyl-docosahydropicene-3,12b,14-triol ChemAxon average_mass 460.7321 ChemAxon mono_mass 460.39164553 ChemAxon smiles CC1(C)CCC2(C)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4C(O)CC3(O)C2C1 ChemAxon formula C30H52O3 ChemAxon inchi InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3 ChemAxon inchikey PVMLWBWORNCCPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.06 ChemAxon polarizability 56.29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63630 Specdb::MsMs 63631 Specdb::MsMs 63632 Specdb::MsMs 120600 Specdb::MsMs 120601 Specdb::MsMs 120602 Specdb::MsMs 2282998 Specdb::MsMs 2282999 Specdb::MsMs 2283000 Specdb::MsMs 3085312 Specdb::MsMs 3085313 Specdb::MsMs 3085314 Specdb::CMs 26025 Specdb::CMs 43909 Specdb::CMs 147552 HMDB0034521 Pistachio Type 1 specific Pistacia vera 55513