Aflatoxin B2 - ≥98%(HPLC) , CAS No.7220-81-7

CAS: 7220-81-7 Cat. No.: A140008 Formula: C₁₇H₁₄O₆ Molecular Weight: 314.29 EC Number: 230-618-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-4-METHOXY-, (6AR,9AS)- | AFLATOXIN B2 | AFLATOXIN B2 [HSDB] | Dihydroaflatoxin B1 | (6aR,9aS)-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

8,9-dihidro derivate of aflatoxin B1. Apotent hepatotoxic and hepatocarcinogenic mycotoxin

application：

Aflatoxin B2 may be used as a reference standard for the determination of aflatoxin B2 in animal feed by high performance liquid chromatography with fluorescence detection (HPLC-FLD), as well as quick, easy, cheap, effective, rugged and safe (QuEchERS) extraction method combined with ultra-high performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS), in eggs by QuEchERS extraction method followed by analysis using UHPLC with tandem mass spectrometry (MS/MS) operating on electrospray-ionization interface (ESI) mode, in Brazil nuts by immunoaffinity column (IAC) and clean-up HPLC-FLD and in plant-based milk and dairy products by dispersive liquid-liquid microextraction (DLLME), QuEchERS extraction method and HPLC-FLD.

Specifications

Synonyms

CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-4-METHOXY-, (6AR,9AS)- | AFLATOXIN B2 | AFLATOXIN B2 [HSDB] | Dihydroaflatoxin B1 | (6aR,9aS)-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Hepatocarcinogen. Food contaminant produced by Aspergillus flavus, a common soil fungus

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760880
• Canonical Smiles: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1
• IUPAC Name: (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
• InChIKey: WWSYXEZEXMQWHT-WNWIJWBNSA-N
• INCHI: 1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
• Isomeric SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
• Molecular Weight: 314.29
• Reaxy-Rn: 1268132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1268132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Angular furanocoumarins
          • Level6 Aflatoxins
            • Level7 Difurocoumarocyclopentenones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Angular furanocoumarins - Aflatoxins
• Direct Parent: Difurocoumarocyclopentenones
• Alternative Parents: Difurocoumarins 1-benzopyrans Coumarans Aryl alkyl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Tetrahydrofurans Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Difurocoumarocyclopentenone - Difurocoumarin - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tetrahydrofuran - Lactone - Ketone - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
• External Descriptors: Aflatoxins and related substances - Aflatoxins

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO or MeOH
• Sensitivity: Light sensitive
• Melt Point(°C): 290°C-316°C
• Molecular Weight: 314.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 314.079 Da
• Monoisotopic Mass: 314.079 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 610.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1