CAS 70815-31-5

(3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one

Description:

The chemical substance with the name "(3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one" and CAS number "70815-31-5" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple chiral centers. This compound features a benzopyran moiety, indicative of its potential biological activity, particularly in the realm of natural products and medicinal chemistry. The presence of hydroxyl groups suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. Additionally, the methoxy group may enhance its lipophilicity, potentially affecting its pharmacokinetic properties. The stereochemistry of the compound is crucial, as it can significantly impact its biological interactions and efficacy. Overall, this substance is of interest for its potential applications in pharmaceuticals, particularly in the development of therapeutic agents targeting various biological pathways.

Formula: C₂₅H₂₂O₉

InChI: InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-7,13-14,18,21,23,26-28,31H,8-9H2,1H3

InChI key: InChIKey=YBGWTZSEYYMFJI-UHFFFAOYSA-N

SMILES: OC12C3C(C(C(C=C3C4OC=5C(C(=O)C4)=C(O)C=C(O)C5)C1=O)C6=CC(OC)=C(O)C=C6)CO2

Synonyms:

• Silymonin
• (3R,3aR,6R,7aR,8R)-4-[(2S)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzofuran-7(6H)-one
• (+)-Silymonin
• 3,6-Methanobenzofuran-7(6H)-one, 4-(3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, [3R-[3α,3aβ,4(S*),6α,7aβ,8R*]]-
• 3,6-Methanobenzofuran-7(6H)-one, 4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, (3R,3aR,6R,7aR,8R)-

Silymonin

CAS: 70815-31-5

Silymonin is a herbal supplement, which is derived from the seeds of the milk thistle plant, Silybum marianum. The active components of Silymonin are flavonolignans, collectively known as silymarin. These compounds exhibit potent antioxidant activity by scavenging free radicals and interfering with lipid peroxidation, thereby protecting cellular membranes from oxidative damage. Additionally, Silymonin modulates the expression of genes associated with inflammation and apoptosis, contributing further to its hepatoprotective effects.

Formula: C₂₅H₂₂O₉

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 466.44 g/mol

Ref: 3D-FS65328