1.0 2011-03-17 23:26:48 UTC 2025-11-19 02:39:04 UTC FDB021687 delta-Maslinic acid methyl ester Delta-maslinic acid methyl ester, also known as δ-maslinate methyl ester, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Delta-maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-maslinic acid methyl ester can be found in olive, which makes delta-maslinic acid methyl ester a potential biomarker for the consumption of this food product. delta-Maslinic acid methyl ester C31H50O4 486.7263 486.370910088 methyl 10,11-dihydroxy-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,13,14-icosahydropicene-4a-carboxylate methyl 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a-carboxylate 54836-91-8 COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2 InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h21-24,32-33H,9-18H2,1-8H3 WUGPMNNYJCMJOJ-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 1,2-diols Carbonyl compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1,2-diol Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.63 ALOGPS logs -5.18 ALOGPS solubility 3.19e-03 g/l ALOGPS melting_point Mp 183-187? logp 5.62 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac methyl 10,11-dihydroxy-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,13,14-icosahydropicene-4a-carboxylate ChemAxon average_mass 486.7263 ChemAxon mono_mass 486.370910088 ChemAxon smiles COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2 ChemAxon formula C31H50O4 ChemAxon inchi InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h21-24,32-33H,9-18H2,1-8H3 ChemAxon inchikey WUGPMNNYJCMJOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 139.49 ChemAxon polarizability 57.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1275610 Specdb::MsMs 1275611 Specdb::MsMs 1275612 Specdb::MsMs 1390558 Specdb::MsMs 1390559 Specdb::MsMs 1390560 Specdb::MsMs 3606745 Specdb::MsMs 3606746 Specdb::MsMs 3606747 Specdb::MsMs 3606748 Specdb::MsMs 3606749 Specdb::MsMs 3606750 Olive Type 1 specific Olea europaea 4146