1.0 2016-09-30 22:38:54 UTC 2020-04-22 15:06:03 UTC BMDB0000941 BMDB00941 Cholest-5-ene 5-Cholestene D5-Cholestene Cholest-5-ene C27H46 370.6541 370.359951472 (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene cholest-5-ene 570-74-1 [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 DTGDZMYNKLTSKC-HKQCOZBKSA-N belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholestane steroids Cyclic olefins Delta-5-steroids Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Cholestane-skeleton Cyclic olefin Delta-5-steroid Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Aliphatic homopolycyclic compounds Cholesterol and derivatives cholestanoid Solid logp 7.87 ALOGPS logs -7.50 ALOGPS logp 8.5 ChemAxon iupac (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene ChemAxon average_mass 370.6541 ChemAxon mono_mass 370.359951472 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C ChemAxon formula C27H46 ChemAxon inchi InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 ChemAxon inchikey DTGDZMYNKLTSKC-HKQCOZBKSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 118.95 ChemAxon polarizability 49.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18961 Specdb::CMs 154195 Specdb::MsMs 308125 Specdb::MsMs 308126 Specdb::MsMs 308127 Specdb::MsMs 352237 Specdb::MsMs 352238 Specdb::MsMs 352239 Specdb::MsMs 2377565 Specdb::MsMs 2377566 Specdb::MsMs 2377567 Specdb::MsMs 2561568 Specdb::MsMs 2561569 Specdb::MsMs 2561570 FDB022329 C05416 389543 440663 28810 C00046564 5889 Baker, Robert H.; Squire, Edward N. Derived steroids. I. Cholesteryl ketones. Journal of the American Chemical Society (1948), 70 1487-90.