Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-

Base Information

• Chemical Name: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-
• CAS No.: 84303-92-4
• Molecular Formula: C₂₇H₃₄O₉
• Molecular Weight: 502.562
• Mol file: 84303-92-4.mol

Synonyms:84303-92-4;89015-91-8;89015-92-9;Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-;Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-;Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z(2E,4Z)))-

Chemical Property of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-

Chemical Property:

• Vapor Pressure: 4.18E-22mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 502.22028266
• Heavy Atom Count: 36
• Complexity: 1040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)C=C(C)CCOC(=O)C=CC=CC(=O)O
• Isomeric SMILES: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)/C=C(\C)/CCOC(=O)/C=C/C=C/C(=O)O

Technology Process of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-

There total 18 articles about Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))- 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: 81.0%

Verrucarin J Seco Acid 2-(Trimethylsilyl)ethyl Ester (89016-44-4) → Verrucarin J Seco Acid (84303-92-4)

Guidance literature:

With potassium fluoride; In water; dimethyl sulfoxide; at 25 ℃; for 42.5h;

DOI:10.1021/jo00184a021

Reference yield: 58.0%

5-hydroxy-2-(5H)-furanone (14032-66-7) + C25H37O10P (84303-84-4,84303-85-5) → Verrucarin J seco acid (84303-92-4,89015-91-8,89015-92-9)

Guidance literature:

DOI:10.1021/jo00153a035

Reference yield: 57.0%

5-hydroxy-2-(5H)-furanone (14032-66-7) + 12,13-Epoxytrichothec-9-ene-4β,15-diol 15-<5'-(oxy)-3'-methyl-2'(E)-pentenoate> (84303-84-4) → Verrucarin J Seco Acid (84303-92-4)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 25 ℃; for 3h;

DOI:10.1021/jo00184a021

upstream raw materials:

5-hydroxy-2-(5H)-furanone

12,13-Epoxytrichothec-9-ene-4β,15-diol 15-<5'-(oxy)-3'-methyl-2'(E)-pentenoate>

Verrucarin J Seco Acid 2-(Trimethylsilyl)ethyl Ester

p-Methoxybenzyl 2-(Trimethylsilyl)ethyl (E,Z)-Muconate

Downstream raw materials:

C₂₉H₃₈O₉