1.0 2010-04-08 22:10:29 UTC 2019-11-26 03:07:52 UTC FDB013017 3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid Isolated from Glycyrrhiza uralensis (Chinese licorice). 3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid is found in herbs and spices. 18-beta-Glycyrrhetinic acid methylester 3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid Methyl 18-beta-glycyrrhetate Methyl 18-beta-glycyrrhetinate Methyl glycyrrhetate Methyl glycyrrhetinate C31H48O4 484.7104 484.355260024 methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylate 1477-44-7 COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3 RMIVRCBSQPCSCQ-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 Cyclohexenones Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.44 ALOGPS logs -5.79 ALOGPS solubility 7.92e-04 g/l ALOGPS melting_point Mp 253-255° logp 6.18 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate ChemAxon average_mass 484.7104 ChemAxon mono_mass 484.355260024 ChemAxon smiles COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 ChemAxon formula C31H48O4 ChemAxon inchi InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3 ChemAxon inchikey RMIVRCBSQPCSCQ-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 139.04 ChemAxon polarizability 57.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11944 Specdb::CMs 43905 Specdb::CMs 146244 Specdb::MsMs 86805 Specdb::MsMs 86806 Specdb::MsMs 86807 Specdb::MsMs 149181 Specdb::MsMs 149182 Specdb::MsMs 149183 Specdb::MsMs 2280838 Specdb::MsMs 2280839 Specdb::MsMs 2280840 Specdb::MsMs 3084835 Specdb::MsMs 3084836 Specdb::MsMs 3084837 HMDB34516 #<Reference:0x000055ce333d1f10> Herbs and Spices Unknown generic