1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-

Base Information

• Chemical Name: 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-
• CAS No.: 1165-39-5
• Deprecated CAS: 1385-95-1
• Molecular Formula: C17H12O7
• Molecular Weight: 328.278
• Hs Code.: 29322090
• European Community (EC) Number: 214-615-9
• UNII: 1DB78J7PUD
• DSSTox Substance ID: DTXSID6040959
• Nikkaji Number: J9.339D
• Wikidata: Q27094976
• Mol file: 1165-39-5.mol

Synonyms:aflatoxin G(1);aflatoxin G1

Chemical Property of 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 244-246 °C
• Refractive Index: 1.4790 (estimate)
• Boiling Point: 612.083 °C at 760 mmHg
• Flash Point: 274.15 °C
• PSA: 84.20000
• Density: 1.596 g/cm³
• LogP: 1.86050
• Storage Temp.: 2-8°C
• Water Solubility.: 15mg/L(temperature not stated)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 328.05830272
• Heavy Atom Count: 24
• Complexity: 666

Purity/Quality:

98%,99%, ^*data from raw suppliers

Aflatoxin G1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,F,Xn
• Hazard Codes: T+,T,F,Xn
• Statements: 45-26/27/28-65-48/23/24/25-36/38-11-46-39/23/24/25-23/24/25-36-20/21/22
• Safety Statements: 53-28-36/37-45-62-26-16-7-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Mycotoxins
• Canonical SMILES: COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
• Isomeric SMILES: COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
• Uses: Aflatoxins B1, B2, G1, G2 as secondary metabolites of fungal species such as Aspergillus flavus or Aspergillus parasiticus growing on a variety of foods (peanuts, nuts, spices, cereals). Aflatoxins a re a group of very carcinogenic mycotoxins with hepatotoxic effects. Aflatoxin G1 is the major analogue of the green fluorescent family of bisfuranocoumarin mycotoxins produced by Aspergillus flavus and related species. Alfatoxins are one of the most potent mycotoxins known but are in fact "pre-toxins", requiring metabolic activation to the toxic principle. Aflatoxins are found widely in nature in trace amounts, particularly in grains and nuts. The toxicity of these metabolites was first recognised in the 1950s and their structures elucidated in 1963. Aflatoxins have been extensively reviewed. Aflatoxin G1 from Aspergillus flavus has been used as a standard for the determination of aflatoxin in various samples.

Technology Process of 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-

There total 2 articles about 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)- 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:

→ aflatoxin-G1 (1165-39-5,13655-43-1,31272-49-8)

Guidance literature:

aus Verb. (42), Verb. (47);

DOI:10.1021/ja00732a032

Reference yield:

aflatoxin B1 (1162-65-8) → aflatoxin B1n exo/endo-8,9-epoxides (1165-39-5)

Guidance literature:

With 3,3-dimethyldioxirane;

DOI:10.1016/0165-1161(94)90030-2

Reference yield:

aflatoxin G1 (1165-39-5) → aflatoxin G2 (7241-98-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; LACTIC ACID; at 37 ℃; pH=3.35 - 4.50; Further Variations:; reagents concentration; Kinetics;

DOI:10.1016/S0960-894X(02)00533-4

upstream raw materials:

aflatoxin B₁

Downstream raw materials:

aflatoxin G₂

Refernces

• 1、 Sotomayor, Rene E.,Sahu, Saura,Washington, Melissa,Hinton, Dennis M.,Chou, Ming. "Temporal patterns of DNA adduct formation and glutathione S-transferase activity in the testes of rats fed aflatoxin B1: A comparison with patterns in the liver". . p. 293 - 302. Retrieved 1999.