1.0 2010-04-08 22:10:59 UTC 2019-11-26 03:09:18 UTC FDB013931 Methyl 3-oxo-12-oleanen-28-oate Isolated from Pistacia vera (pistachio) and Zizyphus jujuba (Chinese date). Methyl 3-oxo-12-oleanen-28-oate is found in nuts and fruits. 1-((4-Methylphenyl)sulfonyl)-piperidine 1-((4-Methylphenyl)sulfonyl)piperidine 1-(P-Tolylsulfonyl)-piperidine 1-(P-Tolylsulfonyl)piperidine 1-(Toluene-4-sulfonyl)-piperidine 1-[(4-Methylphenyl)sulfonyl]-piperidine 1-[(4-Methylphenyl)sulfonyl]piperidine 1-Tosylpiperidine Methyl 3-oxo-12-oleanen-28-oate Methyl oleanonate N-(P-Tolylsulfonyl)piperidine C31H48O3 468.711 468.360345402 methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1H-picene-4a-carboxylate 1721-58-0 COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2 InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3 PPMUFCXCVKVCSV-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 ketones Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.65 ALOGPS logs -6.41 ALOGPS solubility 1.82e-04 g/l ALOGPS melting_point Mp 184-185° logp 7.3 ChemAxon pka_strongest_acidic 19.96 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-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 468.711 ChemAxon mono_mass 468.360345402 ChemAxon smiles COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2 ChemAxon formula C31H48O3 ChemAxon inchi InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3 ChemAxon inchikey PPMUFCXCVKVCSV-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 137.57 ChemAxon polarizability 56.04 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13188 Specdb::CMs 137616 Specdb::CMs 145350 Specdb::MsMs 109752 Specdb::MsMs 109753 Specdb::MsMs 109754 Specdb::MsMs 177267 Specdb::MsMs 177268 Specdb::MsMs 177269 Specdb::MsMs 2268397 Specdb::MsMs 2268398 Specdb::MsMs 2268399 Specdb::MsMs 3070764 Specdb::MsMs 3070765 Specdb::MsMs 3070766 HMDB35270 #<Reference:0x000055ce33383f40> Fruits Unknown generic Nuts Unknown generic