CAS 106533-60-2

1,1′-[(2R,2′R,3R,3′R,4S)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate)

Description:

The chemical substance known as 1,1′-[(2R,2′R,3R,3′R,4S)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate), with the CAS number 106533-60-2, is a complex organic compound characterized by its polyphenolic structure. This compound features multiple hydroxyl groups, which contribute to its potential antioxidant properties and reactivity. The presence of multiple aromatic rings and hydroxyl substituents suggests that it may exhibit significant biological activity, possibly influencing various biochemical pathways. Its stereochemistry, indicated by the specific R and S configurations, may also play a crucial role in its interaction with biological targets. The compound is likely to be soluble in polar solvents due to its numerous hydroxyl groups, and its intricate structure may lead to interesting applications in pharmaceuticals or nutraceuticals, particularly in the context of health benefits associated with polyphenolic compounds. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₄₄H₃₄O₂₀

InChI: InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1

InChI key: InChIKey=LFBGVECYPPCVDS-QNPRKUGLSA-N

SMILES: O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@H](C=3C(O[C@@H]2C4=CC(O)=C(O)C=C4)=CC(O)=CC3O)C=5C(O)=C6C(=CC5O)O[C@@H]([C@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)C6)C8=CC(O)=C(O)C=C8

Synonyms:

• Procyanidin B5 3,3-di-O-gallate
• Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[(2R,2′R,3R,3′R,4S)-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl] ester
• Benzoic acid, 3,4,5-trihydroxy-, 2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
• 1,1′-[(2R,2′R,3R,3′R,4S)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl] bis(3,4,5-trihydroxybenzoate)
• Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4S)-2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester

Procyanidin B-5 3,3'-di-o-gallate

CAS: 106533-60-2

Procyanidin B-5 3,3'-di-o-gallate is a polyphenolic compound, which is a type of proanthocyanidin. It is derived from various plants, particularly those rich in flavonoids, including certain fruits, nuts, and seeds. As a complex polymer of catechins, it displays potent antioxidant activity. This compound acts by scavenging free radicals and chelating metal ions, thus mitigating oxidative stress in biological systems.

Formula: C₄₄H₃₄O₂₀

Purity: Min. 95%

Molecular weight: 882.7 g/mol

Ref: 3D-GEA53360