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The molecular structure of β-isopipitzol has been established as (1R,3R,6R,11R)-8-hydroxy-1,2,2,6-tetramethyltricyclo[5.2.2.03,11]undec-7-ene-9,10-dione, C15H20O3. The absolute configurations of the asymmetric centers at C3(R) and C11(R) were determined, based on the known configuration of the methyl group at C6, by means of X-ray crystallographic analysis and they confirm the structure previously assigned from chemical and spectroscopic evidence.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, bk1206

sft

Structure factor file (SHELXL table format)
Supplementary material

CCDC reference: 126783

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