1.0 2011-03-17 23:26:06 UTC 2025-11-19 02:38:56 UTC FDB021666 Maslinic acid methyl ester Maslinic acid methyl ester is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Maslinic acid methyl ester can be found in cloves and loquat, which makes maslinic acid methyl ester a potential biomarker for the consumption of these food products. 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,13,14b-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,13,14b-tetradecahydropicene-4a-carboxylate 22425-82-7 COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(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/h9,20-24,32-33H,10-18H2,1-8H3 OTDUGESKRJHFHR-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 6.26 ALOGPS logs -5.48 ALOGPS solubility 1.60e-03 g/l ALOGPS melting_point Mp 232-233? logp 5.67 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,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 486.7263 ChemAxon mono_mass 486.370910088 ChemAxon smiles COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(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/h9,20-24,32-33H,10-18H2,1-8H3 ChemAxon inchikey OTDUGESKRJHFHR-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 139.76 ChemAxon polarizability 58.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1315654 Specdb::MsMs 1315655 Specdb::MsMs 1315656 Specdb::MsMs 1430119 Specdb::MsMs 1430120 Specdb::MsMs 1430121 Specdb::MsMs 3606694 Specdb::MsMs 3606695 Specdb::MsMs 3606696 Specdb::MsMs 3606697 Specdb::MsMs 3606698 Specdb::MsMs 3606699 Cloves Type 1 specific Syzygium aromaticum 219868 Loquat Type 1 specific Eriobotrya japonica 32224