1.0 2010-04-08 22:11:41 UTC 2019-11-26 03:11:13 UTC FDB015159 Cholesteryl ferulate Constituent of rice bran oil. Cholesteryl ferulate is found in cereals and cereal products. Cholesteryl ferulate C37H54O4 562.8223 562.402210216 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 164453-91-2 COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=CC=C1O InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+ CPBQNAKTSMCPNH-GZTJUZNOSA-N belongs to the class of organic compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Cholesteryl esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cholesterols and derivatives Cinnamic acid esters Coumaric acids and derivatives Delta-5-steroids Enoate esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholestane-skeleton Cholesterol Cholesteryl ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Delta-5-steroid Enoate ester Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 8.27 ALOGPS logs -7.74 ALOGPS solubility 1.03e-05 g/l ALOGPS melting_point Mp 165-166° logp 9.69 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 562.8223 ChemAxon mono_mass 562.402210216 ChemAxon smiles COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=CC=C1O ChemAxon formula C37H54O4 ChemAxon inchi InChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+ ChemAxon inchikey CPBQNAKTSMCPNH-GZTJUZNOSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 168.63 ChemAxon polarizability 69.24 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24895 Specdb::CMs 44791 Specdb::CMs 282032 Specdb::CMs 350380 Specdb::MsMs 100230 Specdb::MsMs 100231 Specdb::MsMs 100232 Specdb::MsMs 165495 Specdb::MsMs 165496 Specdb::MsMs 165497 Specdb::MsMs 2475023 Specdb::MsMs 2475024 Specdb::MsMs 2475025 Specdb::MsMs 2490944 Specdb::MsMs 2490945 Specdb::MsMs 2490946 HMDB36293 #<Reference:0x000055ce30bef128> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic