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CAS 116424-69-2

:

(2R,3S,3aS,7S,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone

Description:
The chemical substance with the name "(2R,3S,3aS,7S,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone" and CAS number "116424-69-2" is a complex organic compound characterized by its multi-ring structure, which includes a benzodioxole moiety and a benzofuranone framework. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of methoxy groups and a propenyl substituent suggests potential reactivity and solubility characteristics that may be relevant in various chemical environments. Its structural complexity indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or bioactive compounds. The specific stereochemistry may also play a crucial role in determining the compound's pharmacological properties, making it a subject of interest for further research in drug design and synthesis. Overall, this compound exemplifies the intricate nature of organic molecules and their potential significance in chemical and biological contexts.
Formula:C21H24O6
InChI:InChI=1S/C21H24O6/c1-5-6-14-15(22)10-18(23-3)21(24-4)12(2)19(27-20(14)21)13-7-8-16-17(9-13)26-11-25-16/h5,7-10,12,14,19-20H,1,6,11H2,2-4H3/t12-,14+,19+,20+,21+/m0/s1
InChI key:InChIKey=COELSLLVNMRXHB-AMINHBBYSA-N
SMILES:O(C)[C@@]12[C@@]([C@H](CC=C)C(=O)C=C1OC)(O[C@H]([C@@H]2C)C=3C=C4C(=CC3)OCO4)[H]
Synonyms:
  • (2R,3S,3aS,7S,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-, (2R,3S,3aS,7S,7aR)-
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propenyl)-, (2R,3S,3aS,7S,7aR)-
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propenyl)-, [2R-(2α,3β,3aβ,7α,7aβ)]-
  • fargesone A
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