CAS 905580-85-0

(1aS,1bR,5aS,6aS)-Hexahydro-3-(4-methoxyphenyl)oxireno[4,5]cyclopenta[1,2-d][1,3]dioxin

Description:

The chemical substance known as (1aS,1bR,5aS,6aS)-Hexahydro-3-(4-methoxyphenyl)oxireno[4,5]cyclopenta[1,2-d][1,3]dioxin, with the CAS number 905580-85-0, is a complex organic compound characterized by its unique bicyclic structure that incorporates both dioxin and oxirane functionalities. This compound features a hexahydro framework, indicating a saturated cyclic structure, along with a methoxy-substituted phenyl group, which contributes to its potential reactivity and biological activity. The stereochemistry, denoted by the specific configuration at multiple chiral centers, suggests that the compound may exhibit distinct optical isomerism, influencing its interactions in biological systems. Such compounds often possess interesting pharmacological properties, making them of interest in medicinal chemistry and drug development. Additionally, the presence of the dioxin moiety may raise considerations regarding toxicity and environmental impact, necessitating careful handling and assessment in research and application contexts. Overall, this compound exemplifies the complexity and diversity of organic molecules in chemical research.

Formula: C₁₄H₁₆O₄

InChI: InChI=1S/C14H16O4/c1-15-10-4-2-8(3-5-10)14-16-7-9-6-11-13(17-11)12(9)18-14/h2-5,9,11-14H,6-7H2,1H3/t9-,11-,12+,13-,14?/m0/s1

InChI key: InChIKey=IBFVDAHLIIWJTI-UUJNGGQRSA-N

SMILES: O(C)C1=CC=C(C2O[C@]3([C@@]4([C@@](O4)(C[C@]3(CO2)[H])[H])[H])[H])C=C1

Synonyms:

• (1aS,1bR,5aS,6aS)-Hexahydro-3-(4-methoxyphenyl)oxireno[4,5]cyclopenta[1,2-d][1,3]dioxin
• Oxireno[4,5]cyclopenta[1,2-d][1,3]dioxin, hexahydro-3-(4-methoxyphenyl)-, (1aS,1bR,5aS,6aS)-