1.0 2010-04-08 22:11:40 UTC 2019-11-26 03:11:13 UTC FDB015149 Campesteryl p-coumarate Isolated from corn bran. Campesteryl p-coumarate is found in cereals and cereal products. Campesteryl p-coumarate C37H54O3 546.8229 546.407295594 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate 156297-95-9 CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC=C(O)C=C1 InChI=1S/C37H54O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-14,18,24-26,30-34,38H,7-8,15-17,19-23H2,1-6H3/b18-11- OOLXGDSPUCDFAL-WQRHYEAKSA-N belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Steroid esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Delta-5-steroids Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Styrenes 1-hydroxy-2-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Delta-5-steroid Enoate ester Hydrocarbon derivative Hydroxycinnamic acid or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Steroid ester Styrene logp 7.97 ALOGPS logs -7.81 ALOGPS solubility 8.55e-06 g/l ALOGPS logp 10.13 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -6 ChemAxon iupac 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 546.8229 ChemAxon mono_mass 546.407295594 ChemAxon smiles CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC=C(O)C=C1 ChemAxon formula C37H54O3 ChemAxon inchi InChI=1S/C37H54O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-14,18,24-26,30-34,38H,7-8,15-17,19-23H2,1-6H3/b18-11- ChemAxon inchikey OOLXGDSPUCDFAL-WQRHYEAKSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 166.71 ChemAxon polarizability 66.13 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24499 Specdb::CMs 44788 Specdb::CMs 281629 Specdb::CMs 304431 Specdb::MsMs 95412 Specdb::MsMs 95413 Specdb::MsMs 95414 Specdb::MsMs 159669 Specdb::MsMs 159670 Specdb::MsMs 159671 Specdb::MsMs 3059887 Specdb::MsMs 3059888 Specdb::MsMs 3059889 Specdb::MsMs 3107636 Specdb::MsMs 3107637 Specdb::MsMs 3107638 HMDB36283 #<Reference:0x000055ce323c8970> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic