1.0 2010-04-08 22:14:36 UTC 2015-07-21 06:38:46 UTC FDB019805 Pandamarilactonine C Alkaloid from Pandanus amaryllifolius. Food flavouring (+)-Pandamarilactonine C Pandamarilactonine C C18H23NO4 317.3795 317.162708229 (5R)-3-methyl-5-[(2R)-1-{4-[(1Z)-3-methyl-4-oxocyclopent-2-en-1-ylidene]butyl}pyrrolidin-2-yl]-2,5-dihydrofuran-2-one (5R)-3-methyl-5-[(2R)-1-{4-[(1Z)-3-methyl-4-oxocyclopent-2-en-1-ylidene]butyl}pyrrolidin-2-yl]-5H-furan-2-one CC1=CC(OC1=O)C1CCCN1CCC\C=C1/OC(=O)C(C)=C1 InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6- HSICZNIIIPFAAO-NSIKDUERSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones logp 3.21 ChemAxon pka_strongest_acidic 12.98 ChemAxon pka_strongest_basic 8.83 ChemAxon iupac (5R)-3-methyl-5-[(2R)-1-{4-[(1Z)-3-methyl-4-oxocyclopent-2-en-1-ylidene]butyl}pyrrolidin-2-yl]-2,5-dihydrofuran-2-one ChemAxon average_mass 317.3795 ChemAxon mono_mass 317.162708229 ChemAxon smiles CC1=CC(OC1=O)C1CCCN1CCC\C=C1/OC(=O)C(C)=C1 ChemAxon formula C18H23NO4 ChemAxon inchi InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6- ChemAxon inchikey HSICZNIIIPFAAO-NSIKDUERSA-N ChemAxon polar_surface_area 46.61 ChemAxon refractivity 92.47 ChemAxon polarizability 35.21 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon