1.0 2016-09-30 23:15:34 UTC 2020-04-22 15:15:24 UTC BMDB0005193 BMDB05193 CE(20:1(11Z)) 1-eicosenoyl-cholesterol cholesteryl 1-(11-eicosenoate) cholesteryl 1-eicosenoate cholesteryl 1-eicosenoic acid Cholesterol Ester(20:1) cholesterol 1-(11-eicosenoic acid) cholesterol 1-eicosenoic acid 20:1(11Z) cholesterol ester CE(20:1(11Z)) cholesterol 1-(11-eicosenoate) cholesterol 1-eicosenoate cholesteryl 1-(11-eicosenoic acid) CE(20:1) CE(20:1/0:0) 1-(11-eicosenoyl)-cholesterol Cholesterol Ester(20:1/0:0) 1-(11-Eicosenoate 1-(11-Eicosenoic acid 1-(11-Eicosenoic acid) 20:1 Cholesterol ester CE(20:1n9/0:0) CE(20:1W9/0:0) Cholest-5-en-3beta-yl (11Z-eicosenoate Cholest-5-en-3beta-yl (11Z-eicosenoate) Cholest-5-en-3beta-yl (11Z-eicosenoic acid Cholest-5-en-3beta-yl 11Z-eicosenoate Cholest-5-en-3beta-yl 11Z-eicosenoic acid Cholesterol 1-(11-eicosenoate Cholesterol 1-(11-eicosenoic acid Cholesterol ester(20:1n9/0:0) Cholesterol ester(20:1W9/0:0) Cholesteryl Cholesteryl 1-(11-eicosenoate Cholesteryl 1-(11-eicosenoic acid Cholesteryl eicosenoate Cholesteryl eicosenoic acid (2R,5S,15R)-2,15-Dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoic acid C47H82O2 679.1528 678.631481868 (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoate (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoate 70832-37-0 CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1 OWTYWMJVQZQWFH-JQTKPCACSA-N belongs to the class of organic compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Cholesteryl esters Carbonyl compounds Carboxylic acid esters Cholesterols and derivatives Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholestane-skeleton Cholesterol Cholesteryl ester Delta-5-steroid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic homopolycyclic compounds Solid logp 10.91 ALOGPS logs -8.03 ALOGPS logp 15.45 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (11Z)-icos-11-enoate ChemAxon average_mass 679.1528 ChemAxon mono_mass 678.631481868 ChemAxon smiles CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C ChemAxon formula C47H82O2 ChemAxon inchi InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1 ChemAxon inchikey OWTYWMJVQZQWFH-JQTKPCACSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 213.73 ChemAxon polarizability 91.74 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13122 Specdb::MsMs 294841 Specdb::MsMs 294842 Specdb::MsMs 294843 Specdb::MsMs 335668 Specdb::MsMs 335669 Specdb::MsMs 335670 Specdb::MsMs 2675218 Specdb::MsMs 2675219 Specdb::MsMs 2675220 Specdb::MsMs 3033557 Specdb::MsMs 3033558 Specdb::MsMs 3033559 C02530 53477794 FDB023636 88795