Gossypol hexaacetate

Base Information

• Chemical Name: Gossypol hexaacetate
• CAS No.: 30719-67-6
• Deprecated CAS: 109968-48-1,119571-50-5
• Molecular Formula: C₄₂H₄₂O₁₄
• Molecular Weight: 770.787
• NSC Number: 89309
• DSSTox Substance ID: DTXSID10184744
• Nikkaji Number: J126.058H
• Wikidata: Q83055678
• ChEMBL ID: CHEMBL447686
• Mol file: 30719-67-6.mol

Synonyms:Gossypol hexaacetate;30719-67-6;NSC89309;NSC 89309;(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, hexaacetate;CHEMBL447686;DTXSID10184744;BDBM50480328;C42H42O14;NSC-89309;C42-H42-O14;LS-43995;[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexakis(acetyloxy)-3,3'-dimethyl-5,5'-bis(1-methylethyl)-;[3,8-diacetoxy-1-formyl-4-isopropyl-6-methyl-7-(1,6,7-triacetoxy-8-formyl-5-isopropyl-3-methyl-2-naphthyl)-2-naphthyl] acetate

Chemical Property of Gossypol hexaacetate

Chemical Property:

• Melting Point: 265 °C
• Refractive Index: 1.6130 (estimate)
• Boiling Point: 836.3°Cat760mmHg
• Flash Point: 332.9°C
• PSA: 191.94000
• Density: 1.274g/cm³
• LogP: 7.70040
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 17
• Exact Mass: 770.25745601
• Heavy Atom Count: 56
• Complexity: 1400

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)OC(=O)C)OC(=O)C)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)OC(=O)C)OC(=O)C)C(C)C)OC(=O)C)OC(=O)C

Technology Process of Gossypol hexaacetate

There total 2 articles about Gossypol hexaacetate 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:

(rac)-gossypol (303-45-7) + acetic anhydride (108-24-7) → gossypol acetate (784206-37-7,784206-38-8,30719-67-6)

Guidance literature:

With sodium acetate;

Reference yield:

→ gossypol acetate (784206-37-7,784206-38-8,30719-67-6)

Guidance literature:

Thespesin, Acetanhydrid;

DOI:10.1007/BF02146924

upstream raw materials:

(rac)-gossypol

acetic anhydride