15-Acetoxyscirpenol 50 microg/mL in Acetonitrile

Base Information

• Chemical Name: 15-Acetoxyscirpenol 50 microg/mL in Acetonitrile
• CAS No.: 2623-22-5
• Molecular Formula: C₁₇H₂₄O₆
• Molecular Weight: 324.374
• Hs Code.: 29329990
• European Community (EC) Number: 636-756-9
• Mol file: 2623-22-5.mol

Synonyms:15-acetoxyscirpen-3,4-diol

Chemical Property of 15-Acetoxyscirpenol 50 microg/mL in Acetonitrile

Chemical Property:

• Vapor Pressure: 1.27E-10mmHg at 25°C
• Melting Point: 170-172 °C
• Boiling Point: 465.5°Cat760mmHg
• PKA: 13.72±0.70(Predicted)
• Flash Point: 167.3°C
• PSA: 88.52000
• Density: 1.34g/cm³
• LogP: 0.55410
• Storage Temp.: 2-8°C
• Solubility.: ≤10mg/ml in methanol;10mg/ml in dichloromethane
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 324.15728848
• Heavy Atom Count: 23
• Complexity: 588

Purity/Quality:

99% ^*data from raw suppliers

15-Acetoxyscirpenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion. A mild skin irritant.
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C
• Uses: 15-Acetoxyscirpenol is a trichothecene mycotoxin and an apoptosis inducer.

Technology Process of 15-Acetoxyscirpenol 50 microg/mL in Acetonitrile

There total 1 articles about 15-Acetoxyscirpenol 50 microg/mL in Acetonitrile 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:

((2S,2'R,3'R,4'S,5'S,5a'R,9a'R)-4'-acetoxy-3'-hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate (2270-40-8,28776-47-8) → 12,13-epoxytrichothec-9-ene-3α,4β,15-triol 15 acetate (2623-22-5) + scirpentriol (2270-41-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jf0709193

Reference yield: 12.0%

12,13-epoxytrichothec-9-ene-3α,4β,15-triol 15 acetate (2623-22-5) + N-(3-azido-5-methoxyphenyl) N'-(carboxymethyl) urea (114091-12-2) → 12,13-epoxytrichothec-9-ene-3α,4β,15-triol 15 acetate 4β-glicinate

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 25 ℃; for 72h;

DOI:10.1016/S0040-4020(01)86831-9

upstream raw materials:

((2S,2'R,3'R,4'S,5'S,5a'R,9a'R)-4'-acetoxy-3'-hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate

Refernces