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CAS 1086409-82-6

:

(3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one

Description:
The chemical substance with the name "(3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one" and CAS number "1086409-82-6" is a complex organic compound characterized by its multi-ring structure, which includes a dioxepine and isoquinoline framework. This compound features multiple stereocenters, indicating that it exists in specific stereoisomeric forms, which can significantly influence its biological activity and chemical reactivity. The presence of hydroxyl groups and epoxy functionalities suggests potential for hydrogen bonding and reactivity in various chemical environments. Additionally, the trimethyl groups contribute to its hydrophobic character, which may affect its solubility in different solvents. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties. However, detailed studies would be necessary to fully understand its behavior, interactions, and applications in various fields, including drug development and materials science.
Formula:C15H23NO5
InChI:InChI=1S/C15H23NO5/c1-8-4-5-11-9(2)12(17)16(18)13-15(11)10(8)6-7-14(3,19-13)20-21-15/h8-11,13,18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChI key:InChIKey=CIMKGYLLDNUUNG-NNWCWBAJSA-N
SMILES:ON1[C@]2([C@]34[C@]([C@@H](C)C1=O)(CC[C@@H](C)[C@@]3(CC[C@](C)(O2)OO4)[H])[H])[H]
Synonyms:
  • 3,12-Epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one, decahydro-11-hydroxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-
  • (3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one
  • N-Hydroxy-11-azaartemisinin
  • CIMKGYLLDNUUNG-MBQCHNMNSA-N
  • (3R,5aS,6R,8aS,9R,12R,12aR)-11-Hydroxydecahydro-3,6,9-triMethyl-
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