1.0 2010-04-08 22:11:40 UTC 2019-11-26 03:11:13 UTC FDB015150 Campesteryl caffeate Constituent of canary grass (Phalaris canariensis). Antioxidant. Campesteryl caffeate is found in cereals and cereal products. Campesteryl caffeate C37H54O4 562.8223 562.402210216 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2Z)-3-(3,4-dihydroxyphenyl)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-(3,4-dihydroxyphenyl)prop-2-enoate 75873-74-4 CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC(O)=C(O)C=C1 InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10- ZXDDRZYEBDQKAY-YBEGLDIGSA-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 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Catechols Cinnamic 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 1-hydroxy-4-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Cinnamic acid ester Cinnamic acid or derivatives 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 7.93 ALOGPS logs -7.50 ALOGPS solubility 1.79e-05 g/l ALOGPS logp 9.83 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -6.3 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-(3,4-dihydroxyphenyl)prop-2-enoate ChemAxon average_mass 562.8223 ChemAxon mono_mass 562.402210216 ChemAxon smiles CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C/C1=CC(O)=C(O)C=C1 ChemAxon formula C37H54O4 ChemAxon inchi InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10- ChemAxon inchikey ZXDDRZYEBDQKAY-YBEGLDIGSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 168.69 ChemAxon polarizability 66.84 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20544 Specdb::CMs 44789 Specdb::CMs 282031 Specdb::CMs 350375 Specdb::CMs 350376 Specdb::CMs 350377 Specdb::CMs 350378 Specdb::CMs 350379 Specdb::MsMs 52161 Specdb::MsMs 52162 Specdb::MsMs 52163 Specdb::MsMs 129051 Specdb::MsMs 129052 Specdb::MsMs 129053 Specdb::MsMs 3039928 Specdb::MsMs 3039929 Specdb::MsMs 3039930 Specdb::MsMs 3100992 Specdb::MsMs 3100993 Specdb::MsMs 3100994 HMDB36284 #<Reference:0x000055ce325eb590> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic