1.0 2011-09-21 00:24:59 UTC 2015-07-21 06:57:31 UTC FDB023120 Cortol Involved in C21-Steroid hormone metabolism. [HMDB] 20alpha-Cortol 3alpha,11beta,17,20alpha,21-Pentahydroxypregnane 5beta-Pregnane-3alpha,11beta,17,20,21-pentol alpha-cortol Cortol C21H36O5 368.5075 368.256274262 (1S,2S,5R,7R,10S,11S,14R,15S,17S)-14-[(1S)-1,2-dihydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14,17-triol cortol 516-38-1 [H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1 FFPUNPBUZDTHJI-XPOJVAQCSA-N belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. 21-hydroxysteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Aliphatic homopolycyclic compounds 11-beta-hydroxysteroids 17-hydroxysteroids 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Tertiary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 17-hydroxysteroid 21-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol Tertiary alcohol 21-hydroxy steroid Solid logp 1.43 ALOGPS logs -2.55 ALOGPS solubility 1.05e+00 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 12.99 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2S,5R,7R,10S,11S,14R,15S,17S)-14-[(1S)-1,2-dihydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14,17-triol ChemAxon average_mass 368.5075 ChemAxon mono_mass 368.256274262 ChemAxon smiles [H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C ChemAxon formula C21H36O5 ChemAxon inchi InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1 ChemAxon inchikey FFPUNPBUZDTHJI-XPOJVAQCSA-N ChemAxon polar_surface_area 101.15 ChemAxon refractivity 98.37 ChemAxon polarizability 41.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13193 Specdb::CMs 38540 Specdb::CMs 162879 Specdb::MsMs 50997 Specdb::MsMs 50998 Specdb::MsMs 50999 Specdb::MsMs 166560 Specdb::MsMs 166561 Specdb::MsMs 166562 Specdb::MsMs 2304252 Specdb::MsMs 2304253 Specdb::MsMs 2304254 Specdb::MsMs 2658421 Specdb::MsMs 2658422 Specdb::MsMs 2658423 HMDB03180 #<Reference:0x000055ce31f0fe38> #<Reference:0x000055ce31f0fc80> 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