1.0 2010-04-08 22:07:24 UTC 2025-11-18 23:03:20 UTC FDB007001 Olean-12-en-28-oic acid Olean-12-en-28-oic acid is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Olean-12-en-28-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Olean-12-en-28-oic acid can be found in common sage, which makes olean-12-en-28-oic acid a potential biomarker for the consumption of this food product. C30H48O2 440.712 440.365430786 2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCCC(C)(C)C5CCC34C)C2C1)C(O)=O InChI=1S/C30H48O2/c1-25(2)15-17-30(24(31)32)18-16-28(6)20(21(30)19-25)9-10-23-27(5)13-8-12-26(3,4)22(27)11-14-29(23,28)7/h9,21-23H,8,10-19H2,1-7H3,(H,31,32) MXEMKMNFLXVQBW-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 acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 8.33 ALOGPS logs -6.88 ALOGPS solubility 5.83e-05 g/l ALOGPS logp 7.83 ChemAxon pka_strongest_acidic 4.74 ChemAxon iupac 2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 440.712 ChemAxon mono_mass 440.365430786 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCCC(C)(C)C5CCC34C)C2C1)C(O)=O ChemAxon formula C30H48O2 ChemAxon inchi InChI=1S/C30H48O2/c1-25(2)15-17-30(24(31)32)18-16-28(6)20(21(30)19-25)9-10-23-27(5)13-8-12-26(3,4)22(27)11-14-29(23,28)7/h9,21-23H,8,10-19H2,1-7H3,(H,31,32) ChemAxon inchikey MXEMKMNFLXVQBW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 132.11 ChemAxon polarizability 54.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101874 Specdb::MsMs 101875 Specdb::MsMs 101876 Specdb::MsMs 167565 Specdb::MsMs 167566 Specdb::MsMs 167567 Specdb::MsMs 3603533 Specdb::MsMs 3603534 Specdb::MsMs 3603535 Specdb::MsMs 3603536 Specdb::MsMs 3603537 Specdb::MsMs 3603538 Common sage Type 1 specific Salvia officinalis 38868