12-Acetoxyamoorastatin

Base Information

• Chemical Name: 12-Acetoxyamoorastatin
• CAS No.: 58812-37-6
• Molecular Formula: C₃₀H₃₈O₁₁
• Molecular Weight: 574.625
• Hs Code.: 29389090
• European Community (EC) Number: 683-199-2
• Metabolomics Workbench ID: 139844
• Nikkaji Number: J612.432A
• Wikidata: Q104402974
• Mol file: 58812-37-6.mol

Synonyms:toosendanin

Chemical Property of 12-Acetoxyamoorastatin

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 2.15E-21mmHg at 25°C
• Melting Point: 178-180 °C
• Refractive Index: 1.618
• Boiling Point: 714 °C at 760 mmHg
• PKA: 12.15±0.70(Predicted)
• Flash Point: 385.6 °C
• PSA: 165.26000
• Density: 1.44 g/cm³
• LogP: 1.46610
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 574.24141202
• Heavy Atom Count: 41
• Complexity: 1190

Purity/Quality:

Toosendanin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@H]([C@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
• Description: Fructus Meliae Toosendan (chuan lian zi), the fruit of Melia toosendan Sieb. Et Zucc, is mainly produced in Sichuan, Hubei, Henan, and Hunan province in China . Toosendanin is a tetracyclic triterpene compound extracted from fructus toosendan. It is an ascaridole agent and showed anti-botulinum, antibacterial, anticancer, and anti-inflammatory effects. It is also a neuromuscular blocking agent.
• Physical properties: Appearance: white acicular crystal, colorless, bitter, and odorless. Solubility: soluble in ethanol, methanol, ethyl acetate, acetone, pyridine, etc., and slightly soluble in hot water, chloroform, benzene, and ether and insoluble in petroleum ether.
• Uses: Toosendanin is a triterpenoid derivative, acts as a novel agonist of L-type Ca2+ channels in neonatal rat ventricular cells. Toosendanin is a triterpenoid derivative and a novel agonist of L-type Ca2+ channels in neonatal rat ventricular cells (1,2,3).
• Indications: Insecticide
• Clinical Use: Fructus Meliae Toosendan is a traditional Chinese medicine which is still used in internal medicine.

Technology Process of 12-Acetoxyamoorastatin

There total 1 articles about 12-Acetoxyamoorastatin 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:

→ C30H38O11 (58812-37-6,66052-49-1,79304-40-8)

Guidance literature:

Sendanin 1, Acetylierung;