1.0 2010-04-08 22:11:16 UTC 2025-11-19 00:46:25 UTC FDB014425 Bauerenol Bauerenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Bauerenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Bauerenol can be found in fig, which makes bauerenol a potential biomarker for the consumption of this food product. 7-Baueren-3b-ol Bauerenol Baurenol Ilexol C30H50O 426.7174 426.386166222 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol 4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol 6466-94-0 CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3 TZVDWGXUGGUMCE-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 Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.86 ALOGPS logs -7.01 ALOGPS solubility 4.14e-05 g/l ALOGPS melting_point Mp 207-208° logp 7.39 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3 ChemAxon inchikey TZVDWGXUGGUMCE-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.98 ChemAxon polarizability 54.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61464 Specdb::MsMs 61465 Specdb::MsMs 61466 Specdb::MsMs 117993 Specdb::MsMs 117994 Specdb::MsMs 117995 Specdb::MsMs 3605686 Specdb::MsMs 3605687 Specdb::MsMs 3605688 Specdb::MsMs 3605689 Specdb::MsMs 3605690 Specdb::MsMs 3605691 Fig Type 1 specific Ficus carica 3494