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   cavicularin
cavicularin


Notes This molecule is chiral. The absolute configuration is not known. The three-dimensional picture, above, may show the natural product or may be its enantiomer. The InChI (version 1) naming system cannot distinguish the two forms of this non-local stereochemistry.

Literature (+)-Cavicularin: A Novel Optically Active Cyclic Bibenzyl-Dihydrophenanthrene Derivative from the Liverwort Cavicularia densa Steph.
M. Toyota, T. Yoshida, Y. Kan, S. Takaoka and Y. Asakawa. Tetrahedron Letters 1996, 37, 4745-4748.
DOI: 10.1016/0040-4039(96)00956-2

Total Synthesis of Cavicularin and Riccardin C: Addressing the Synthesis of an Arene That Adopts a Boat Configuration
D. C. Harrowven, T. Woodcock and P. D. Howes. Angew. Chem. 2005, 44, 3899-3901.
DOI: 10.1002/anie.200500466


SMILES

Canonical SMILES

InChI

MInChI v0.9
MInChIxe1 C27H20O4 c28xh19xh6xh 9xh21xh18xl1 2xh19xr11xh1 5xh1xh7xh20x l8xh2xh15xr3 1xh27xh24xl2 9xr10xh5xh16 xh3xh4xh17xh 13xh25xl30xr 23xl21xr14xh 22xl17xr26xl 16xr27xsh1xh 2xc5xh10xc12 xh14xc28xh30 Hxc3xh4xc11H 2


Structure files

MOL file ; PDB file

Conformation
1000 step GACK search using MMFF forcefield


Updated: 16 June 2006



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department of chemistry University of Cambridge