CAS 1891-12-9

6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, 3-acetate, (6aR,11aR)-

Description:

6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, 3-acetate, (6aR,11aR)-, commonly referred to by its CAS number 1891-12-9, is a chemical compound characterized by its complex polycyclic structure, which includes fused benzofuran and benzopyran rings. This compound features a methoxy group and an acetate functional group, contributing to its chemical reactivity and potential biological activity. The stereochemistry indicated by the (6aR,11aR) designation suggests specific spatial arrangements of atoms, which can influence the compound's interactions in biological systems. It is often studied for its potential pharmacological properties, including antioxidant and anti-inflammatory effects. The presence of hydroxyl and methoxy groups enhances its solubility and reactivity, making it of interest in medicinal chemistry. Additionally, its structural characteristics may allow for various synthetic modifications, leading to derivatives with enhanced efficacy or selectivity in therapeutic applications. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function in organic chemistry.

Formula: C₁₈H₁₆O₅

InChI: InChI=1S/C18H16O5/c1-10(19)22-12-4-6-14-16(8-12)21-9-15-13-5-3-11(20-2)7-17(13)23-18(14)15/h3-8,15,18H,9H2,1-2H3/t15-,18-/m0/s1

InChI key: InChIKey=YZWXTJOBCWPTTJ-YJBOKZPZSA-N

SMILES: O(C(C)=O)C=1C=C2C([C@]3([C@](C=4C(O3)=CC(OC)=CC4)(CO2)[H])[H])=CC1

Synonyms:

• 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, acetate, (6aR-cis)-
• 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, acetate, (6aR,11aR)-
• 3-Acetoxy-9-methoxypterocarpan
• 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, acetate
• 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, 3-acetate, (6aR,11aR)-

Medicarpin-3-acetate

CAS: 1891-12-9

Medicarpin-3-acetate is an organic compound, classified as a modified flavonoid, which is derived from natural plant sources such as the Fabaceae family. Its derivation involves acetate functionalization of medicarpin, a pterocarpan phytoalexin. The mode of action of Medicarpin-3-acetate is primarily linked to its ability to interact with plant biological pathways, disrupting fungal cell wall synthesis, thus serving as a potential antifungal agent.

Formula: C₁₈H₁₆O₅

Purity: Min. 95%

Molecular weight: 312.32 g/mol

Ref: 3D-XM161958