Diacetyl-2,16 cucurbitacine (E)

Base Information

• Chemical Name: Diacetyl-2,16 cucurbitacine (E)
• CAS No.: 26321-61-9
• Molecular Formula: C₃₆H₄₈O₁₀
• Molecular Weight: 640.771
• Nikkaji Number: J42.499D
• Wikidata: Q76387269
• Mol file: 26321-61-9.mol

Synonyms:Diacetyl-2,16 cucurbitacine (E);BRN 3193315;26321-61-9;19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16-alpha,20,25-tetrahydroxy-, 2,16-alpha,25-triacetate;3-08-00-04378 (Beilstein Handbook Reference);Diacetyl-2,16 cucurbitacine E;C36H48O10;C36-H48-O10;LS-97304;19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-

Chemical Property of Diacetyl-2,16 cucurbitacine (E)

Chemical Property:

• Vapor Pressure: 5.38E-25mmHg at 25°C
• Boiling Point: 735.9°C at 760 mmHg
• Flash Point: 222.9°C
• PSA: 150.34000
• Density: 1.23g/cm³
• LogP: 4.76610
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 640.32474772
• Heavy Atom Count: 46
• Complexity: 1500

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2(C3CC=C4C(C3(C(=O)CC2(C1C(C)(C(=O)C=CC(C)(C)OC(=O)C)O)C)C)C=C(C(=O)C4(C)C)OC(=O)C)C
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C=C(C(=O)C4(C)C)OC(=O)C)C

Technology Process of Diacetyl-2,16 cucurbitacine (E)

There total 3 articles about Diacetyl-2,16 cucurbitacine (E) 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:

acetic anhydride (108-24-7) → (20Ξ)-2,16α,25-triacetoxy-20-hydroxy-cucurbita-1,5,23ξ-triene-3,11,22-trione (26321-61-9)

Guidance literature:

With sodium acetate;

DOI:10.1007/BF01525117 DOI:10.1016/0040-4020(58)80051-4

Reference yield:

→ 2,16α,25-triacetoxy-20-hydroxy-10α-cucurbita-1,5,23t-triene-3,11,22-trione (26321-61-9)

Guidance literature:

Datiscacin, Acetanhydrid, Py.;

DOI:10.1021/jo00947a041

Reference yield:

→ 2,16-Diacetyl-cucurbitacin 'E' (26321-61-9)

Guidance literature:

Cucurbitacin 'E', Ac2O;

upstream raw materials:

acetic anhydride