CAS 1617-55-6

rel-(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

Description:

The chemical substance known as rel-(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol, with the CAS number 1617-55-6, is a flavonoid compound characterized by its complex polyphenolic structure. This compound features a benzopyran core, which is typical of flavonoids, and is substituted with multiple hydroxyl groups, contributing to its potential antioxidant properties. The specific stereochemistry indicated by the rel-(2R,3S) configuration suggests that it has distinct spatial arrangements that may influence its biological activity and interaction with other molecules. The presence of the trihydroxyphenyl group enhances its reactivity and solubility in polar solvents. Such compounds are often studied for their health benefits, including anti-inflammatory and cardioprotective effects. Additionally, the hydroxyl groups can participate in hydrogen bonding, which may affect the compound's solubility and stability in various environments. Overall, this substance exemplifies the diverse functionalities of flavonoids in biological systems and their potential applications in pharmaceuticals and nutraceuticals.

Formula: C₁₅H₁₄O₇

InChI: InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/s2

InChI key: InChIKey=XMOCLSLCDHWDHP-OPNJQGHXNA-N

SMILES: O[C@@H]1[C@H](OC=2C(C1)=C(O)C=C(O)C2)C3=CC(O)=C(O)C(O)=C3

Synonyms:

• 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-rel-
• (±)-Gallocatechol
• rel-(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
• Gallocatechol, (±)-
• 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, trans-(±)-

Gallocatechin

CAS: 1617-55-6

Oxygen-heterocyclic compound

Formula: C₁₅H₁₄O₇

Purity: ≥ 95.0 % (HPLC)

Color and Shape: Powder

Molecular weight: 306.27

Ref: 5G-80096