Aflatoxin G2 Standard solution - 25 ug/mL in acetonitrile , CAS No.7241-98-7

CAS: 7241-98-7 Cat. No.: A298917 Fórmula: C₁₇H₁₄O₇ Peso molecular: 330.29 Número EC: 230-643-4

GRADE & PURITY 25 ug/mL in acetonitrile

Synonyms

AFLATOXIN G2 [HSDB] | 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,9,10,10a-hexahydro-5-methoxy-, (7aR,10aS)- | Aflatoxin G2 in Acetonitrile | 2MS0D8WA29 | (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

9,10-dihidro derivate of aflatoxin G1. A potent hepatotoxic and hepatocarcinogenic mycotoxin

Specifications

Sinónimos

AFLATOXIN G2 [HSDB] | 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,9,10,10a-hexahydro-5-methoxy-, (7aR,10aS)- | Aflatoxin G2 in Acetonitrile | 2MS0D8WA29 | (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.

Especificaciones y pureza

25 ug/mL in acetonitrile

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Sonrisas canónicas

COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1

IUPAC Name

(3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione

InChIKey

WPCVRWVBBXIRMA-WNWIJWBNSA-N

INCHI

1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1

Isómeros SMILES

COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1

CAS alternativo

7241-98-7

Número ONU

3462

Grupo de embalaje

I

Peso molecular

330.29

Reaxy-Rn

1692016

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1692016&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Angular furanocoumarins - Aflatoxins
• Direct Parent: Difurocoumarolactones
• Alternative Parents: Difurocoumarins 1-benzopyrans Coumarans Anisoles Pyranones and derivatives Alkyl aryl ethers Tetrahydrofurans Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Difurocoumarolactone - Difurocoumarin - Benzopyran - 1-benzopyran - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Tetrahydrofuran - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as difurocoumarolactones. These are polycyclic aromatic compounds containing a delta-valerolactone 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Peso molecular: 330.290 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 330.074 Da
• Monoisotopic Mass: 330.074 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 626.000
• 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