Crystal structure of (±)-(1 SR ,5 SR ,6 SR ,7 SR ,10 SR ,11 SR ,13 SR )-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0 1,5 .0 6,11 ]octadeca-14,16-dien-10-yl benzoate

In the title compound, C 36 H 42 O 8 , the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat–chair fo...

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Published inActa crystallographica. Section E, Crystallographic communications Vol. 71; no. 5; pp. 490 - 493
Main Authors Oishi, Takeshi, Fukaya, Keisuke, Yamaguchi, Yu, Sugai, Tomoya, Watanabe, Ami, Sato, Takaaki, Chida, Noritaka
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.05.2015
Subjects
crystal structure
C—H...π interactions
hydrogen bonding
hydrogen bonds
paclitaxel
taxane skeleton
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Summary:In the title compound, C 36 H 42 O 8 , the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat–chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C—H...O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C—H...O and C—H...π interactions, forming a three-dimensional network.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015007136