1.0 2019-08-07 19:54:11 UTC 2025-11-19 03:04:44 UTC FDB034830 CE(DiMe(11,5)) C49H82O3 719.1736 718.62639649 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1 InChI=1S/C49H82O3/c1-9-10-17-23-45-37(5)38(6)46(52-45)24-18-15-13-11-12-14-16-19-25-47(50)51-40-30-32-48(7)39(34-40)26-27-41-43-29-28-42(36(4)22-20-21-35(2)3)49(43,8)33-31-44(41)48/h26,35-36,40-44H,9-25,27-34H2,1-8H3 GDFSBTHRBKRFTF-UHFFFAOYSA-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 heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cholesterols and derivatives Delta-5-steroids Furanoid fatty acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholestane-skeleton Cholesterol Cholesteryl ester Delta-5-steroid Fatty acyl Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 10.25 ALOGPS logs -5.82 ALOGPS solubility 1.08e-03 g/l ALOGPS logp 15.38 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate ChemAxon average_mass 719.1736 ChemAxon mono_mass 718.62639649 ChemAxon smiles CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1 ChemAxon formula C49H82O3 ChemAxon inchi InChI=1S/C49H82O3/c1-9-10-17-23-45-37(5)38(6)46(52-45)24-18-15-13-11-12-14-16-19-25-47(50)51-40-30-32-48(7)39(34-40)26-27-41-43-29-28-42(36(4)22-20-21-35(2)3)49(43,8)33-31-44(41)48/h26,35-36,40-44H,9-25,27-34H2,1-8H3 ChemAxon inchikey GDFSBTHRBKRFTF-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 222 ChemAxon polarizability 94.91 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 915142 Specdb::MsMs 915143 Specdb::MsMs 915144 Specdb::MsMs 963460 Specdb::MsMs 963461 Specdb::MsMs 963462 Specdb::MsMs 2459971 Specdb::MsMs 2459972 Specdb::MsMs 2459973 Specdb::MsMs 2476085 Specdb::MsMs 2476086 Specdb::MsMs 2476087 HMDB0061668 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823