1.0 2011-09-21 00:05:37 UTC 2015-07-21 06:56:54 UTC FDB021945 18-Hydroxycorticosterone 11 beta,18,21-Trihydroxypregn-4-ene-3,20-dione. 18-Hydroxycorticosterone is a derivative of corticosterone. It serves as an intermediate in the synthesis of aldosterone by the enzyme aldosterone synthase in the zona glomerulosa. [HMDB] 11b,18,21-trihydroxy-pregn-4-ene-3,20-dione 18-Hydroxycorticosterone C21H30O5 362.4599 362.20932407 (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one 561-65-9 [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 HFSXHZZDNDGLQN-ZVIOFETBSA-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 18-hydroxysteroids 20-oxosteroids 3-oxo delta-4-steroids Alpha-hydroxy ketones Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Secondary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 18-hydroxysteroid 20-oxosteroid 21-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol 11beta-hydroxy steroid 18-hydroxy steroid 20-oxo steroid 21-hydroxy steroid 3-oxo steroid C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives Mineralocorticoids Solid logp 1.28 ALOGPS logs -3.38 ALOGPS solubility 1.53e-01 g/l ALOGPS logp 0.74 ChemAxon pka_strongest_acidic 13.8 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one ChemAxon average_mass 362.4599 ChemAxon mono_mass 362.20932407 ChemAxon smiles [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C21H30O5 ChemAxon inchi InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 ChemAxon inchikey HFSXHZZDNDGLQN-ZVIOFETBSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 97.77 ChemAxon polarizability 39.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Steroidogenesis SMP00130 map00140 Specdb::CMs 10645 Specdb::CMs 37427 Specdb::CMs 132598 Specdb::CMs 140332 Specdb::CMs 1058191 Specdb::CMs 1058193 Specdb::CMs 1058195 Specdb::CMs 1058197 Specdb::CMs 1058199 Specdb::CMs 1058201 Specdb::CMs 1058202 Specdb::CMs 1058203 Specdb::CMs 1058205 Specdb::CMs 1058207 Specdb::CMs 1058209 Specdb::CMs 1058211 Specdb::CMs 1058213 Specdb::CMs 1058215 Specdb::CMs 1058217 Specdb::CMs 1058219 Specdb::CMs 1058221 Specdb::CMs 1058223 Specdb::CMs 1058225 Specdb::CMs 1058227 Specdb::CMs 1058229 Specdb::MsMs 58674 Specdb::MsMs 58675 Specdb::MsMs 58676 Specdb::MsMs 114663 Specdb::MsMs 114664 Specdb::MsMs 114665 Specdb::MsMs 2444332 Specdb::MsMs 2444333 Specdb::MsMs 2444334 Specdb::MsMs 2520797 Specdb::MsMs 2520798 Specdb::MsMs 2520799 HMDB00319 16485 #<Reference:0x000055ce3060c6e8> #<Reference:0x000055ce3060c4e0> #<Reference:0x000055ce3060c328> #<Reference:0x000055ce3060c170> #<Reference:0x000055ce30613f88> #<Reference:0x000055ce30613dd0> 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