Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy droxy-7-(meth oxy meth oxy)-11,15,18,18-tetra methyl-3,13-dioxo-2,4-dioxa tetra cyclo[12.3.1.01,5.06,11]octa dec-14-en-10-yl benzoate

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1 Citation (Scopus)

Abstract

In the fused tetra cyclic system of the title compound, C29H36O9, the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by -0.252 (6) and 0.340 (6) Å. The cyclo hexane, cyclo hexene and central cyclo octane rings show chair, half-chair and boat-chair forms, respectively. There are three intra molecular C - H⋯O inter actions supporting the mol ecular conformation, with one S(6) and two S(7) graph-set motifs. In the crystal, inter molecular O - H⋯O hydrogen bonds connect the mol ecules into a helical chain running along the c-axis direction, generating a C(7) graph-set motif. The chains are further linked by inter molecular C - H⋯O inter actions to construct a three-dimensional network. There is no valid C - H⋯π inter action.

Original languageEnglish
Pages (from-to)1234-1238
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume77
DOIs
Publication statusPublished - 2021 Dec 1

Keywords

  • Crystal structure
  • Cyclo hexa ne
  • Cyclo hexene
  • Cyclo octa ne
  • Dioxolane
  • Hydrogen bond
  • Paclitaxel
  • Taxane skeleton

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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