15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

Base Information

• Chemical Name: 15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene
• CAS No.: 79320-89-1
• Molecular Formula: C₁₉H₂₆O₇
• Molecular Weight: 366.411
• DSSTox Substance ID: DTXSID201000396
• Mol file: 79320-89-1.mol

Synonyms:15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

Chemical Property of 15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

Chemical Property:

• Melting Point: 172 - 173 °C (diethyl ether)
• Boiling Point: 488.5°Cat760mmHg
• Flash Point: 171.6°C
• PSA: 86.75000
• Density: 1.36g/cm³
• LogP: 1.28230
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 366.16785316
• Heavy Atom Count: 26
• Complexity: 706

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1OC2C3(C4(CCC(=CC4OC(C35CO5)C2(O1)O)C)COC(=O)C)C
• Isomeric SMILES: C[C@H]1O[C@@H]2[C@](O1)([C@@H]3C4(C2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)C)C)CO4)O

Technology Process of 15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

There total 1 articles about 15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene 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: 37.0%

3-ketoanguidin (2269-44-5) → 15-acetoxy-3α-hydroxy-3β,4β-O,O-ethylidene-12,13-epoxytrichothec-9-ene (79320-89-1)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In isopropyl alcohol; for 3h; Ambient temperature;

DOI:10.1021/jm00145a019

upstream raw materials:

3-ketoanguidin

Refernces