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CAS 99340-07-5

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

Description:
The chemical substance with the name "(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone" and CAS number "99340-07-5" is a complex organic compound characterized by its unique stereochemistry and functional groups. It features a benzodioxole moiety, which contributes to its aromatic properties and potential biological activity. The presence of multiple methoxy groups indicates that it may exhibit interesting electronic properties and reactivity. The tetrahydrofuran ring structure suggests that it may have a degree of rigidity, influencing its interactions with biological targets. Additionally, the presence of an allyl group (2-propen-1-yl) may enhance its reactivity and potential for forming covalent bonds with other molecules. Overall, this compound may possess significant pharmacological properties, making it of interest in medicinal chemistry and drug development, although specific biological activities would require further investigation.
Formula:C21H24O6
InChI:InChI=1S/C21H24O6/c1-5-6-15-10-20(23-3)13(2)19(27-21(20,24-4)11-16(15)22)14-7-8-17-18(9-14)26-12-25-17/h5,7-10,13,19H,1,6,11-12H2,2-4H3/t13-,19+,20+,21-/m1/s1
InChI key:InChIKey=YVRYZXAHRGGELT-MZNUGIIHSA-N
SMILES:O(C)[C@@]12[C@@](OC)([C@H](C)[C@H](O1)C=3C=C4C(=CC3)OCO4)C=C(CC=C)C(=O)C2
Synonyms:
  • (2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-, (2S,3R,3aS,7aR)-
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-, [2S-(2α,3β,3aα,7aα)]-
  • 6(2H)-benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-, (2S,3R,3aS,7aR)-
  • Kadsurin A
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Found 4 products.