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CAS 131175-88-7

:

rel-(3R,5aS,6R,8aS,9R,12R,12aR)-10-Ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin

Description:
The chemical substance known as rel-(3R,5aS,6R,8aS,9R,12R,12aR)-10-Ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, with the CAS number 131175-88-7, is a complex organic compound characterized by its multi-ring structure and specific stereochemistry. It features a pyrano-benzodioxepin framework, which contributes to its unique chemical properties. The presence of multiple chiral centers indicates that the compound can exist in various stereoisomeric forms, influencing its reactivity and biological activity. The ethoxy group suggests potential solubility in organic solvents and may affect its interaction with biological systems. Additionally, the epoxy functionality indicates the potential for further chemical reactivity, making it a candidate for various synthetic applications. Such compounds are often studied for their potential pharmacological properties, including anti-inflammatory or anticancer activities, although specific biological data would be necessary to confirm these effects. Overall, this substance exemplifies the complexity and diversity found in organic chemistry, particularly in the realm of natural product synthesis and medicinal chemistry.
Formula:C17H28O5
InChI:InChI=1/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14?,15-,16-,17-/s2
InChI key:InChIKey=NLYNIRQVMRLPIQ-CIQROYGKNA-N
SMILES:C[C@@H]1[C@]2([C@]34[C@](OC1OCC)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
Synonyms:
  • 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-rel-
  • 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-
  • rel-(3R,5aS,6R,8aS,9R,12R,12aR)-10-Ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
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