Koetjapic acid chloroform hemisolvate

Koetjapic acid chloroform hemisolvate

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The asymmetric unit of the title compound, C30H46O4·0.5CHCl3, consists of one koetjapic acid [systematic name: (3R,4aR,4bS,7S,8S,10bS,12aS)-7-(2-carboxyethyl)-3,4b,7,10b,12a-pentamethyl-8-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrochrysene-3-carboxylic acid] molecule and one half-molecule of chloroform solvent, which is disordered about a twofold rotation axis.The symmetry-independent component is further disordered over two sites, with occupancies of 0.30 and 0.

20.The koetjapic acid contains a fused four-ring system, A/B/C/D.The A/B, B/C sten jacket m and C/D 30x24x24 wall cabinet junctions adopt E/trans/cis configurations, respectively.The conformation of ring A is intermediate between envelope and half-chair and ring B adopts an envelope conformation whereas rings C and D adopt chair conformations.

A weak intramolecular C—H.O hydrogen bond is observed.The koetjapic acid molecules are linked into dimers by two pairs of intermolecular O—H.O hydrogen bonds.

The dimers are stacked along the c axis.