1.0 2010-04-08 22:11:41 UTC 2019-11-26 03:11:13 UTC FDB015156 Campesteryl brassidate Constituent of rapeseed oil. Campesteryl brassidate is found in fats and oils. Campesteryl brassidate C50H88O2 721.2325 720.67843206 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (13E)-docos-13-enoate 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (13E)-docos-13-enoate 110671-73-3 CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C InChI=1S/C50H88O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-48(51)52-43-34-36-49(6)42(38-43)30-31-44-46-33-32-45(50(46,7)37-35-47(44)49)41(5)29-28-40(4)39(2)3/h15-16,30,39-41,43-47H,8-14,17-29,31-38H2,1-7H3/b16-15+ SVGTUNXQTXZOHW-FOCLMDBBSA-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 Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta-5-steroid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Steroid ester logp 10.95 ALOGPS logs -8.10 ALOGPS solubility 5.77e-06 g/l ALOGPS logp 16.63 ChemAxon pka_strongest_basic -7 ChemAxon iupac 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (13E)-docos-13-enoate ChemAxon average_mass 721.2325 ChemAxon mono_mass 720.67843206 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCC(C)C(C)C ChemAxon formula C50H88O2 ChemAxon inchi InChI=1S/C50H88O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-48(51)52-43-34-36-49(6)42(38-43)30-31-44-46-33-32-45(50(46,7)37-35-47(44)49)41(5)29-28-40(4)39(2)3/h15-16,30,39-41,43-47H,8-14,17-29,31-38H2,1-7H3/b16-15+ ChemAxon inchikey SVGTUNXQTXZOHW-FOCLMDBBSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 227.48 ChemAxon polarizability 98.43 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84546 Specdb::MsMs 84547 Specdb::MsMs 84548 Specdb::MsMs 146430 Specdb::MsMs 146431 Specdb::MsMs 146432 Specdb::MsMs 2767049 Specdb::MsMs 2767050 Specdb::MsMs 2767051 Specdb::MsMs 2912297 Specdb::MsMs 2912298 Specdb::MsMs 2912299 HMDB36290 #<Reference:0x000055ce31743d80> Fats and oils Unknown generic