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CAS 78798-40-0

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(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methylbut-2-enoate

Description:
The chemical substance with the name "(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methylbut-2-enoate" and CAS number "78798-40-0" is a complex organic compound characterized by its intricate stereochemistry and functional groups. It features multiple chiral centers, which contribute to its specific three-dimensional arrangement, influencing its reactivity and interactions with biological systems. The presence of acetyloxy groups suggests potential for esterification reactions, while the hydroxy and keto functionalities indicate possible sites for hydrogen bonding and reactivity. The spirocyclic structure, which includes a naphthalene and an oxirane moiety, adds to its structural uniqueness and may impart specific properties such as rigidity and conformational stability. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry and related fields. Its detailed characterization would require advanced analytical techniques such as NMR and mass spectrometry to elucidate its precise structure and confirm its identity.
Formula:C29H40O10
InChI:InChI=1/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7+/t17-,21+,22-,23+,25-,27+,28+,29-/m1/s1
Synonyms:
  • Ajugamarin A1
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