1.0 2016-09-30 22:27:38 UTC 2020-05-21 16:28:51 UTC BMDB0000268 BMDB00268 Tetrahydrocorticosterone (3alpha,5beta,11beta)-3,11,21-Trihydroxypregnan-20-one (3α,5β,11β)-3,11,21-Trihydroxypregnan-20-one 3alpha,11beta,21-Trihydroxy-5beta-pregnan-20-one 3alpha,5beta-Tetrahydrocorticosterone 3α,11β,21-Trihydroxy-5β-pregnan-20-one 3α,5β-Tetrahydrocorticosterone 5beta-Pregnane-3alpha,11beta,21-triol-20-one 5β-Pregnane-3α,11β,21-triol-20-one THB Tetrahydrocorticosterone C21H34O4 350.4923 350.245709576 1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one 1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethanone 68-42-8 [H][C@@]12CC[C@H](C(=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/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 RHQQHZQUAMFINJ-DTDWNVJFSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 21-hydroxysteroids 11-beta-hydroxysteroids 20-oxosteroids 3-alpha-hydroxysteroids Alpha-hydroxy ketones Cyclic alcohols and derivatives Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Secondary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 20-oxosteroid 21-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol Aliphatic homopolycyclic compounds 21-hydroxy steroid C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives Solid logp 2.07 ALOGPS logs -3.47 ALOGPS logp 1.86 ChemAxon pka_strongest_acidic 13.86 ChemAxon pka_strongest_basic -0.25 ChemAxon iupac 1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one ChemAxon average_mass 350.4923 ChemAxon mono_mass 350.245709576 ChemAxon smiles [H][C@@]12CC[C@H](C(=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 C21H34O4 ChemAxon inchi InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 ChemAxon inchikey RHQQHZQUAMFINJ-DTDWNVJFSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 96.2 ChemAxon polarizability 40 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::MsMs 466 Specdb::MsMs 467 Specdb::MsMs 468 Specdb::MsMs 3879 Specdb::MsMs 1244908 Specdb::MsMs 1244909 Specdb::MsMs 1244910 Specdb::MsMs 1360267 Specdb::MsMs 1360268 Specdb::MsMs 1360269 Specdb::MsMs 2434357 Specdb::MsMs 2434358 Specdb::MsMs 2434359 Specdb::MsMs 2504264 Specdb::MsMs 2504265 Specdb::MsMs 2504266 Specdb::CMs 173800 Specdb::CMs 1056391 Specdb::CMs 1056393 Specdb::CMs 1056395 Specdb::CMs 1056397 Specdb::CMs 1056399 Specdb::CMs 1056401 Specdb::CMs 1056403 Specdb::CMs 1056405 Specdb::CMs 1056407 Specdb::CMs 1056409 Specdb::CMs 1056411 Specdb::CMs 1056413 Specdb::CMs 1056415 Specdb::CMs 1056417 Specdb::CMs 1056419 Specdb::CMs 1056421 Specdb::CMs 1056423 Specdb::CMs 1056425 Specdb::CMs 1056427 Specdb::CMs 1056429 Specdb::CMs 1056431 Specdb::CMs 1056433 Specdb::CMs 1056435 Specdb::CMs 1056436 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 C05476 58996 Tetrahydrocorticosterone Higashi, Tatsuya; Yokoi, Hiroyuki; Maekubo, Hitoe; Honda, Ayako; Shimada, Kazutake. Studies on neurosteroids. XXIII. Analysis of tetrahydrocorticosterone isomers in the brain of rats exposed to immobilization using LC-MS. Steroids (2007), 72(13), 865-874. BMDBP01290 Dihydrodiol dehydrogenase 3 P52898 Enzyme