Arenemycine

Base Information

• Chemical Name: Arenemycine
• CAS No.: 31501-48-1
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.289
• DSSTox Substance ID: DTXSID50953491
• Mol file: 31501-48-1.mol

Synonyms:arenaemycin E;pentalenolactone

Chemical Property of Arenemycine

Chemical Property:

• Boiling Point: 529.4°Cat760mmHg
• Flash Point: 204.7°C
• PSA: 76.13000
• Density: 1.42g/cm³
• LogP: 1.15160
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 603

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O
• Isomeric SMILES: C[C@@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O

Technology Process of Arenemycine

There total 4 articles about Arenemycine 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:

pentalenolactone F (85416-36-0,89163-61-1,116002-67-6) → pentalenolactone (31501-48-1)

Guidance literature:

pentalenolactone F; With spinach ferredoxin-NADP⁽¹⁺⁾ reductase; Streptomyces exfoliatus UC₅₃₁₉ His₆-PenM enzyme; oxygen; spinach ferredoxin; In glycerol; for 0.0833333h; pH=8; aq. buffer; Enzymatic reaction;

With NADPH; In glycerol; at 30 ℃; for 0.166667h; pH=8; Reagent/catalyst; Kinetics; aq. buffer;

DOI:10.1021/ja111279h

Reference yield:

→ C15H16O5 (31501-48-1,65794-77-6)

Guidance literature:

aus dem natuerlichen Benzylaminsalz;

DOI:10.1021/ja00517a041

Reference yield:

→ C15H16O5 (31501-48-1,65794-77-6)

Guidance literature:

Methylester 6, Hydrolyse;

DOI:10.1021/ja00517a041

upstream raw materials:

pentalenolactone F

Refernces