1.0 2010-04-08 22:11:41 UTC 2019-11-26 03:11:13 UTC FDB015162 Cycloartanyl ferulate Constituent of rice bran oil. Cycloartanyl ferulate is found in cereals and cereal products and fats and oils. Cycloartanyl ferulate C40H60O4 604.902 604.449160408 7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 20972-10-5 COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCCC(C)C)=CC=C1O InChI=1S/C40H60O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h12-14,17,24,26-27,29,32-34,41H,9-11,15-16,18-23,25H2,1-8H3/b17-13+ MFIVAYYVKCBONU-GHRIWEEISA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Steroid esters Styrenes Triterpenoids 1-hydroxy-2-unsubstituted benzenoid 9b,19-cyclo-lanostane-skeleton Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Cycloartane-skeleton Cycloartanol-skeleton Enoate ester Ether Fatty acid ester Fatty acyl 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 Steroid ester Styrene Triterpenoid logp 8.16 ALOGPS logs -7.90 ALOGPS solubility 7.55e-06 g/l ALOGPS logp 10.53 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 604.902 ChemAxon mono_mass 604.449160408 ChemAxon smiles COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCCC(C)C)=CC=C1O ChemAxon formula C40H60O4 ChemAxon inchi InChI=1S/C40H60O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h12-14,17,24,26-27,29,32-34,41H,9-11,15-16,18-23,25H2,1-8H3/b17-13+ ChemAxon inchikey MFIVAYYVKCBONU-GHRIWEEISA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 179.2 ChemAxon polarizability 74.44 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53091 Specdb::MsMs 53092 Specdb::MsMs 53093 Specdb::MsMs 121215 Specdb::MsMs 121216 Specdb::MsMs 121217 Specdb::MsMs 2731330 Specdb::MsMs 2731331 Specdb::MsMs 2731332 Specdb::MsMs 2977307 Specdb::MsMs 2977308 Specdb::MsMs 2977309 Specdb::CMs 24169 Specdb::CMs 44793 Specdb::CMs 475892 Specdb::CMs 792216 HMDB36295 #<Reference:0x000055ce31d39370> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic