1.0 2010-04-08 22:10:45 UTC 2025-11-18 23:45:21 UTC FDB013500 Ursolic aldehyde Ursolic aldehyde is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Ursolic aldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ursolic aldehyde can be found in common grape, which makes ursolic aldehyde a potential biomarker for the consumption of this food product. 3b-Hydroxy-12-ursen-28-al 3beta-Hydroxyurs-12-en-28-aldehyde Ursolaldehyde Ursolic aldehyde C30H48O2 440.7009 440.36543078 10-hydroxy-1,2,6a,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-carbaldehyde 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde 19132-81-1 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C=O InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3 VLFUANNVMXKBPF-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 Aldehydes Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.36 ALOGPS logs -6.64 ALOGPS solubility 1.00e-04 g/l ALOGPS logp 6.42 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 10-hydroxy-1,2,6a,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-carbaldehyde ChemAxon average_mass 440.7009 ChemAxon mono_mass 440.36543078 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C=O ChemAxon formula C30H48O2 ChemAxon inchi InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3 ChemAxon inchikey VLFUANNVMXKBPF-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 132.77 ChemAxon polarizability 54.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87441 Specdb::MsMs 87442 Specdb::MsMs 87443 Specdb::MsMs 149949 Specdb::MsMs 149950 Specdb::MsMs 149951 Specdb::MsMs 3605533 Specdb::MsMs 3605534 Specdb::MsMs 3605535 Specdb::MsMs 3605536 Specdb::MsMs 3605537 Specdb::MsMs 3605538 Common grape Type 1 specific Vitis vinifera 29760