Tetrahydrocorticosterone

Base Information

• Chemical Name: Tetrahydrocorticosterone
• CAS No.: 68-42-8
• Molecular Formula: C21H34O4
• Molecular Weight: 350.499
• European Community (EC) Number: 200-690-5
• UNII: PUW84K2LEC
• DSSTox Substance ID: DTXSID901015843
• Nikkaji Number: J4.858E
• Wikipedia: Tetrahydrocorticosterone
• Wikidata: Q7706543
• Metabolomics Workbench ID: 35401
• Mol file: 68-42-8.mol

Synonyms:3 beta,11 beta,21-trihydroxy-5 alpha-pregnan-20-one;allopregnane-3 beta,11 beta,21-triol-20-one;allotetrahydrocorticosterone;alloTHB;tetrahydrocorticosterone;tetrahydrocorticosterone, (3alpha,5alpha)-isomer;tetrahydrocorticosterone, (3alpha,5beta,11alpha)-isomer;tetrahydrocorticosterone, (3beta,5alpha,11beta)-isomer;tetrahydrocorticosterone, (3beta,5beta)-isomer;tetrahydrocorticosterone, (5alpha)-isomer

Chemical Property of Tetrahydrocorticosterone

Chemical Property:

• Vapor Pressure: 1.62E-12mmHg at 25°C
• Melting Point: 144～147℃
• Refractive Index: 1.557
• Boiling Point: 509.6°C at 760 mmHg
• PKA: 12.98±0.10(Predicted)
• Flash Point: 276.1°C
• PSA: 77.76000
• Density: 1.18 g/cm³
• LogP: 2.53840
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 350.24570956
• Heavy Atom Count: 25
• Complexity: 548

Purity/Quality:

98%min ^*data from raw suppliers

Tetrahydrocorticosterone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O
• Uses: Tetrahydrocorticosterone is a urinary steroid metabolite that decreases in postmenopausal women with osteoporosis. Tetrahydrocorticosterone is a potential biomarker of pathol. adrenal function.

Technology Process of Tetrahydrocorticosterone

There total 15 articles about Tetrahydrocorticosterone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

20.20-Aethylendioxy-5β-pregnantriol-(5α.11β.21) (97465-44-6) → Tetrahydrocorticosterone (68-42-8)

Guidance literature:

With sulfuric acid; In methanol;

DOI:10.1016/0039-128X(63)90025-4

Reference yield:

C28H43N3O10 → Tetrahydrocorticosterone (68-42-8)

Guidance literature:

Multi-step reaction with 3 steps

1: KBH₄ / methanol; H₂O / 18 h

2: aq. H₂SO₄, pH 2.1 / 1 h

3: β-glucuronidase

With potassium borohydride; sulfuric acid; In methanol; water;

DOI:10.1016/0039-128X(83)90135-6

Reference yield:

C35H51N3O13 → Tetrahydrocorticosterone (68-42-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 0.04 N NaOH / methanol / 0.5 h

2: KBH₄ / methanol; H₂O / 18 h

3: aq. H₂SO₄, pH 2.1 / 1 h

4: β-glucuronidase

With sodium hydroxide; potassium borohydride; sulfuric acid; In methanol; water;

DOI:10.1016/0039-128X(83)90135-6

upstream raw materials:

3α,21-dihydroxy-5β-pregnane-11,20-dione

20.20-Aethylendioxy-5β-pregnantriol-(5α.11β.21)

3α-hydroxy-21-acetoxy-5β-pregnanedione-(11.20)

Refernces