1.0 2010-04-08 22:10:59 UTC 2019-11-26 03:09:18 UTC FDB013928 Methyl 3b-hydroxy-13(18)-oleanen-28-oate Isolated from leaves of Olea europaea (olive). Methyl 3b-hydroxy-13(18)-oleanen-28-oate is found in herbs and spices and fruits. Methyl 3b-hydroxy-13(18)-oleanen-28-oate C33H52O4 512.7636 512.386560152 methyl 10-(acetyloxy)-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-(acetyloxy)-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 COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2 InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3 VNBZCSKDIGCTNO-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.65 ALOGPS logs -6.29 ALOGPS solubility 2.64e-04 g/l ALOGPS melting_point Mp 237-239° logp 7.14 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl 10-(acetyloxy)-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 512.7636 ChemAxon mono_mass 512.386560152 ChemAxon smiles COC(=O)C12CCC(C)(C)CC1=C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2 ChemAxon formula C33H52O4 ChemAxon inchi InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h24-26H,10-20H2,1-9H3 ChemAxon inchikey VNBZCSKDIGCTNO-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 147.28 ChemAxon polarizability 61.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15982 Specdb::MsMs 47133 Specdb::MsMs 47134 Specdb::MsMs 47135 Specdb::MsMs 139083 Specdb::MsMs 139084 Specdb::MsMs 139085 Specdb::MsMs 2846114 Specdb::MsMs 2846115 Specdb::MsMs 2846116 Specdb::MsMs 2863662 Specdb::MsMs 2863663 Specdb::MsMs 2863664 HMDB35267 #<Reference:0x000055ce2ca6cc50> Fruits Unknown generic Herbs and Spices Unknown generic