(1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one

Base Information

• Chemical Name: (1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one
• CAS No.: 29611-03-8
• Molecular Formula: C₁₇H₁₄O₆
• Molecular Weight: 314.295
• Hs Code.: 29419090
• DSSTox Substance ID: DTXSID4020034
• Mol file: 29611-03-8.mol

Synonyms:DTXSID4020034;(1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one;AFL;Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one,2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, [1S-(1.alpha.,6a.beta.,9a.beta.)]-

Chemical Property of (1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one

Chemical Property:

• Vapor Pressure: 5.02E-13mmHg at 25°C
• Melting Point: 225°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 552.1°Cat760mmHg
• Flash Point: 210.2°C
• PSA: 78.13000
• Density: 1.56g/cm³
• LogP: 2.12720
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 314.07903816
• Heavy Atom Count: 23
• Complexity: 610

Purity/Quality:

98%Min ^*data from raw suppliers

Aflatoxin R0 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 45-46-61-26/27/28
• Safety Statements: 53-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1
• Isomeric SMILES: COC1=C2C3=C([C@@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@H]5OC4=C1
• Description: Aflatoxin R0 is a metabolite of the carcinogenic mycotoxin aflatoxin B1 . Aflatoxin R0 is produced by metabolism in animals as well as in fungi and can be reverted to the parent compound in fungi. Aflatoxin R0 is highly mutagenic when tested in the Ames'' in vitro microbial detection system for carcinogens.

Technology Process of (1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one

There total 1 articles about (1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one 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:

→ Aflatoxicol (29611-03-8,61740-00-9)

Guidance literature:

Aflatoxin B1, Zinkborhydrid;

DOI:10.1007/BF01922282

Refernces