CAS 52819-96-2

(3S,6aR,9aS)-2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione

Description:

The chemical substance known as (3S,6aR,9aS)-2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, with the CAS number 52819-96-2, is a complex organic compound characterized by its unique bicyclic structure that incorporates both furan and benzopyran moieties. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of hydroxyl and methoxy functional groups suggests potential for hydrogen bonding and increased solubility in polar solvents. Its structural complexity may confer interesting pharmacological properties, making it a subject of interest in medicinal chemistry. The compound's specific stereochemistry and functional groups may also play a crucial role in its reactivity and stability under various conditions. Overall, this substance exemplifies the intricate relationship between molecular structure and chemical behavior, which is essential for applications in drug development and other fields of chemistry.

Formula: C₁₇H₁₂O₇

InChI: InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1

InChI key: InChIKey=GYNOTJLCULOEIM-XKRJZGAWSA-N

SMILES: O(C)C=1C2=C(C3=C(C1)O[C@@]4([C@]3(C=CO4)[H])[H])OC(=O)C5=C2[C@@H](O)CC5=O

Synonyms:

• (3S,6aR,9aS)-2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione
• (3S,6aR,9aS)-3-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
• Aflatoxin Q₁
• Ccris 2010
• Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S,6aR,9aS)-
• Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S-(3-alpha,6a-alpha,9a-alpha))-
• Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3S,6aR,9aS)-
• Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, [3S-(3α,6aα,9aα)]-
• Aflatoxin Q1

Aflatoxin Q1

CAS: 52819-96-2

Aflatoxin Q1, a hydroxy metabolite of Aflatoxin B1, is a major detoxication product formed in human liver.

Formula: C₁₇H₁₂O₇

Color and Shape: Solid

Molecular weight: 328.27

Ref: TM-T75141

Aflatoxin Q1

Controlled Product

CAS: 52819-96-2

Aflatoxin Q1 is a mutagenic and carcinogenic mycotoxin produced by the fungus Aspergillus flavus. Aflatoxin Q1 is excreted in urine and can be detected with a sensitive method that detects the presence of glutathione using bovine serum albumin as the substrate. The affinity of this mycotoxin to albumin has been shown in animals, but not in humans. Aflatoxin Q1 also has been shown to induce alopecia and cancer in animals, although more research is needed to establish its carcinogenic potential for humans.

Formula: C₁₇H₁₂O₇

Purity: Min. 95%

Molecular weight: 328.27 g/mol

Ref: 3D-FA17240

Aflatoxin Q1

CAS: 52819-96-2

Formula: C₁₇H₁₂O₇

Molecular weight: 328.27

Ref: ST-EA-CP-A174012

Aflatoxin Q1

CAS: 52819-96-2

Aflatoxin Q1

Ref: 54-BI12253

Aflatoxin Q1

Controlled Product

CAS: 52819-96-2

Applications A metabolite of Aflatoxin B1; a hepatocarcinogen in many animal models and probably a human carcinogen. It is produced by the predominant forms of cytochrome P 450 enzymes responsible for the biotransformation of AFB1. It shows potential predictive value as a marker for exposure and risk of dietary aflatoxins.Environmental contaminants; Food contaminants
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Mykkaenen, H., et al.: Int. J. Cancer, 115, 879 (2005); Van Vleet, T.R. et al.: J. Toxicol. Environ. Health, 65, 853 (2002);

Formula: C₁₇H₁₂O₇

Color and Shape: Neat

Molecular weight: 328.27

Ref: TR-A357530