3,17-Dihydroxy-5-estrene

Base Information

• Chemical Name: 3,17-Dihydroxy-5-estrene
• CAS No.: 4993-32-2
• Molecular Formula: C18H28O2
• Molecular Weight: 276.4137
• UNII: 4287V1Q45G
• DSSTox Substance ID: DTXSID001311177
• Nikkaji Number: J1.392.883E
• Wikidata: Q27258513
• Mol file: 4993-32-2.mol

Synonyms:3,17-DHE;3,17-dihydroxy-5-estrene;5(10)-estrene-3,17-diol;Estr-5(10)-ene-3,17-diol

Chemical Property of 3,17-Dihydroxy-5-estrene

Chemical Property:

• Vapor Pressure: 3.36E-09mmHg at 25°C
• Boiling Point: 430°Cat760mmHg
• Flash Point: 198.8°C
• PSA: 40.46000
• Density: 1.14g/cm³
• LogP: 3.42500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 441

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3CCC(C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC[C@@H](C4)O
• Uses: A metabolite of Androstenedione.

Technology Process of 3,17-Dihydroxy-5-estrene

There total 16 articles about 3,17-Dihydroxy-5-estrene 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: 22.0%

17β-hydroxy-estr-5(10)-en-3-one (1089-78-7) → estr-5(10)-ene-3β,17β-diol (4993-32-2)

Guidance literature:

With potato dextrose broth medium; In ethanol; at 24 - 26 ℃; for 96h; Penicillium decumbens ATCC 10436;

DOI:10.1016/0039-128X(94)90020-5

Reference yield:

17β-hydroxy-estr-5(10)-en-3-one (1089-78-7) → estr-5(10)-ene-3β,17β-diol (4993-32-2) + 5(10)-estrene-3α,17β-diol (13864-49-8)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1248/cpb.15.27

Reference yield:

Oestr-5(10)-en-3β,17β-diol-17-benzoat → estr-5(10)-ene-3β,17β-diol (4993-32-2)

Guidance literature:

With potassium hydroxide; In methanol; Heating;

upstream raw materials:

17β-hydroxy-estr-5(10)-en-3-one

3β-Hydroxyestr-5(10)-en-17-one

3-methoxy-17-hydroxyestra-2,5⁽¹⁰⁾-diene

3-ethoxy-17β-hydroxy-1,3,5(10)-estratriene