Compound: 21-Deoxycortisol
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@@]4([C@@](O)(C(=O)C)CC[C@H]4[C@@H]3CC2)C)(C)CC1
InChIKey: LCZBQMKVFQNSJR-UJPCIWJBSA-N
Synonyms: 21-Deoxycortisol, 641-77-0, 21-DESOXYCORTISOL, XZ1JYU14MZ, 11beta,17alpha-Dihydroxypregn-4-ene-3,20-dione, 11beta,17alpha-Dihydroxyprogesterone, 11beta,17-dihydroxypregn-4-ene-3,20-dione, 4-Pregnene-11beta,17alpha-diol-3,20-dione, CHEBI:28697, DTXSID101044501, RefChem:483898, DTXCID501526652, 11 beta,17 alpha-dihydroxypregn-4-ene-3,20-dione, 211-375-7, 21-Deoxy Cortisol, (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, (8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, MLS000028688, MLS001148457, 11-beta,17-alpha-Dihydroxypregn-4-ene-3,20-dione, SMR000058692, 21-Dehydrohydrocortisone, 11beta,17-Dihydroxypregn-4-ene-3,20-dione (Oxenol), Hydrocortisone EP Impurity L, 11beta,17-dihydroxyprogesterone, EINECS 211-375-7, Opera_ID_1875, UNII-XZ1JYU14MZ, SCHEMBL139279, orb3141083, CHEMBL1527439, SCHEMBL25181279, HMS2235F11, Pregn-4-ene-3,20-dione, 11,17-dihydroxy-, (11.beta.)-, MSK15405, LMST02030195, AKOS027378804, MSK15405-100A, MSK15405-100M, 4-Pregnene-11b,17a-diol-3,20-dione, PD130862, HY-113405, 11b,17a-Dihydroxy-4-pregnene-3,20-dione, CS-0059349, NS00014778, C05497, G79752, HYDROCORTISONE IMPURITY L [EP IMPURITY], pregn-4-ene-11beta,17alpha-diol-3,20-dione, Pregn-4-ene-11beta-17alpha-diol-3-20-dione, 11.BETA.,17.ALPHA.-DIHYDROXYPROGESTERONE, 21-Deoxycortisol Solution in Methanol, 100ug/mL, 2A30EDDE-FAB3-4B14-BB2C-5ADD955FD9AB, 21-Deoxycortisol Solution in Acetonitrile, 100ug/mL, 11.BETA.,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE, 11.BETA.,17.ALPHA.-DIHYDROXYPREGN-4-ENE-3,20-DIONE, Hydrocortisone EP Impurity L; Hydrocortisone Acetate EP Impurity B, (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-acetyl-1,10-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one, 11|A,17-dihydroxypregn-4-ene-3,20-dione (oxenol); (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, Progesterone, 11EC,17-dihydroxy- (6CI), 11EC,17I<<-Dihydroxyprogesterone,Pregn-4-ene-3,20-dione, 11,17-dihydroxy-, (11EC)-, 11EC,17I<<-Dihydroxypregn-4-ene-3,20-dione, 21-Deoxyhydrocortisone, 21-Deoxycortisol, 21-Dehydrohydrocortisone, Pregn-4-ene-3,20-dione, 11EC,17-dihydroxy- (8CI), Pregn-4-ene-11EC,17I<<-diol-3,20-dione, 21-Desoxycortisol
Theoretical properties:
molecular_formula: C21H30O4
molecular_weight: 346.5 g/mol
exact_mass: 346.21440943 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 25
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 21-deoxycortisol is a deoxycortisol that is 17-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a mouse metabolite and a human blood serum metabolite. It is a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone, a deoxycortisol and an 11beta-hydroxy steroid.
chebi: A deoxycortisol that is 17ξ-pregn-4-ene-3,20-dione substituted by a β-hydroxy group at position 11 and an α-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 21-Deoxycortisol, also known as 11β,17α-dihydroxyprogesterone or as 11β,17α-dihydroxypregn-4-ene-3,20-dione, is a naturally occurring, endogenous steroid related to cortisol (11β,17α,21-trihydroxyprogesterone) which is formed as a metabolite from 17α-hydroxyprogesterone via 11β-hydroxylase.