Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzoyloxy-2-(2-hydroxy-ethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate

Takeshi Oishi, Yuu Yamaguchi, Keisuke Fukaya, Tomoya Sugai, Ami Watanabe, Takaaki Sato, Noritaka Chida, H. Ishida

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclohexene and cyclohexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O - H⋯O hydrogen bonds with an R22(26) graph-set motif connect the benzoate molecules into an inversion dimer. The dimers are linked by a weak C - H⋯O interaction into a tape structure along [011¯]. The benzene molecule links the tapes through C - H⋯O and C - H⋯π interactions, forming a sheet parallel to (100).

Original languageEnglish
Pages (from-to)8-11
Number of pages4
JournalActa Crystallographica Section E: Structure Reports Online
Issue number1
Publication statusPublished - Jan 1 2015
Externally publishedYes


  • Crystal structure
  • Hydrogen bonds
  • Paclitaxel
  • Taxane skeleton

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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