Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate

Base Information

• Chemical Name: Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate
• CAS No.: 61786-04-7
• Molecular Formula: C22H26 O4
• Molecular Weight: 354.446
• European Community (EC) Number: 262-966-1
• DSSTox Substance ID: DTXSID20210785
• Nikkaji Number: J310.577F
• Wikidata: Q83085570
• Mol file: 61786-04-7.mol

Synonyms:61786-04-7;EINECS 262-966-1;Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate;SCHEMBL11146794;DTXSID20210785;ZAGLOMJROUNZHS-ZDFPQIBNSA-N;Estra-1,3,5(10),7-tetrene-3,17alpha-diol diacetate;1,3,5(10),7-estratetraene-3,17alpha-diol 3,17-diacetate

Chemical Property of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate

Chemical Property:

• PSA: 52.60000
• LogP: 4.31980
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 354.18310931
• Heavy Atom Count: 26
• Complexity: 624

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C1(CCC3C2=CCC4=C3C=CC(=C4)OC(=O)C)C
• Isomeric SMILES: CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4=C3C=CC(=C4)OC(=O)C)C

Technology Process of Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate

There total 1 articles about Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate 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:

17alpha-Dihydroequilin (651-55-8) → 1,3,5(10),7-estratetraene-3,17-diol 3,17α-diacetate (61786-04-7)

Guidance literature:

With pyridine; acetic anhydride; toluene-4-sulfonic acid; In methanol; water;

upstream raw materials:

17alpha-Dihydroequilin

Refernces