1.0 2010-04-08 22:10:59 UTC 2019-11-26 03:09:17 UTC FDB013918 Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate Isolated from Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate is found in tea and herbs and spices. Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate C31H48O4 484.7104 484.355260024 methyl 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylate methyl 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-2-carboxylate 98063-17-3 COC(=O)C1(C)CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C2C1 InChI=1S/C31H48O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8-9,22-24,32-33H,10-19H2,1-7H3 YAXQAGGRDUKRGH-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroids and steroid derivatives 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 Primary alcohol Secondary alcohol Steroid Triterpenoid logp 5.59 ALOGPS logs -5.42 ALOGPS solubility 1.84e-03 g/l ALOGPS melting_point Mp 247° (as di-Ac) logp 5.05 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac methyl 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylate ChemAxon average_mass 484.7104 ChemAxon mono_mass 484.355260024 ChemAxon smiles COC(=O)C1(C)CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C2C1 ChemAxon formula C31H48O4 ChemAxon inchi InChI=1S/C31H48O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8-9,22-24,32-33H,10-19H2,1-7H3 ChemAxon inchikey YAXQAGGRDUKRGH-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 141.02 ChemAxon polarizability 57.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21340 Specdb::CMs 44284 Specdb::CMs 148421 Specdb::MsMs 93408 Specdb::MsMs 93409 Specdb::MsMs 93410 Specdb::MsMs 157170 Specdb::MsMs 157171 Specdb::MsMs 157172 Specdb::MsMs 2824732 Specdb::MsMs 2824733 Specdb::MsMs 2824734 Specdb::MsMs 2853979 Specdb::MsMs 2853980 Specdb::MsMs 2853981 HMDB35257 #<Reference:0x000055ce318a2d20> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442