Pseudaconine tetraacetate

Base Information

• Chemical Name: Pseudaconine tetraacetate
• CAS No.: 38146-91-7
• Molecular Formula: C33H49NO12
• Molecular Weight: 651.7417
• DSSTox Substance ID: DTXSID20959081
• Mol file: 38146-91-7.mol

Synonyms:Pseudaconine tetraacetate;Tetraacetylpseudaconine;O-Debenzoylindaconitine triacetate;38146-91-7;Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, tetraacetate (ester), (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-;C33H49NO2;DTXSID20959081;C33-H49-N-O2;20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrayl tetraacetate

Chemical Property of Pseudaconine tetraacetate

Chemical Property:

• Vapor Pressure: 3.43E-16mmHg at 25°C
• Boiling Point: 638.3°C at 760 mmHg
• Flash Point: 339.8°C
• Density: 1.29g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 14
• Exact Mass: 651.32547600
• Heavy Atom Count: 46
• Complexity: 1280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C)OC(=O)C)OC)OC(=O)C)OC)OC)OC(=O)C)COC

Technology Process of Pseudaconine tetraacetate

There total 1 articles about Pseudaconine tetraacetate 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:

acetyl chloride (75-36-5) → (16S)-3α,8,13,14α-tetraacetoxy-20-ethyl-1α,6α,16-trimethoxy-4-methoxymethyl-aconitane (38146-91-7)

Guidance literature:

DOI:10.1021/ja01216a042 DOI:10.1039/jr9280001105

upstream raw materials:

acetyl chloride