1.0 2010-04-08 22:12:31 UTC 2025-11-19 01:48:32 UTC FDB016588 Furcelleran Emulsifier, stabiliser, thickening agent. Furcelleran 'salts' prepd. by increasing the concentration of the naturally occurring cations (ammonium, calcium, potassium or sodium) have similar utility Burtonitte 44 Danish agar Furcelleran gum C31H27NO4 477.5504 477.194008357 3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate 3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate 9000-21-9 CCOC(=O)C1=C(C)NC(C2=CC=CC=C2)=C(C1C#CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3 SNVFDPHQAOXWJZ-UHFFFAOYSA-N belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Cinnamic acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Aromatic heteromonocyclic compounds Amino acids and derivatives Azacyclic compounds Benzyloxycarbonyls Carbonyl compounds Dialkylamines Dicarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Enamines Enoate esters Hydrocarbon derivatives Organic oxides Organopnictogen compounds Vinylogous amides Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Dicarboxylic acid or derivatives Dihydropyridine Dihydropyridinecarboxylic acid derivative Enamine Enoate ester Hydrocarbon derivative Hydropyridine Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Vinylogous amide logp 5.96 ALOGPS logs -5.43 ALOGPS solubility 1.79e-03 g/l ALOGPS logp 5.8 ChemAxon pka_strongest_basic 4.5 ChemAxon iupac 3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate ChemAxon average_mass 477.5504 ChemAxon mono_mass 477.194008357 ChemAxon smiles CCOC(=O)C1=C(C)NC(C2=CC=CC=C2)=C(C1C#CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 ChemAxon formula C31H27NO4 ChemAxon inchi InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3 ChemAxon inchikey SNVFDPHQAOXWJZ-UHFFFAOYSA-N ChemAxon polar_surface_area 64.63 ChemAxon refractivity 139.7 ChemAxon polarizability 52.65 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19480 Specdb::CMs 171551 Specdb::MsMs 57867 Specdb::MsMs 57868 Specdb::MsMs 57869 Specdb::MsMs 113673 Specdb::MsMs 113674 Specdb::MsMs 113675 Specdb::MsMs 2712242 Specdb::MsMs 2712243 Specdb::MsMs 2712244 Specdb::MsMs 2996981 Specdb::MsMs 2996982 Specdb::MsMs 2996983 HMDB37510 #<Reference:0x000055ce31d63e18>