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The title compound, C31H48N2O3, is a Beckmann rearrangement product. The isopropenyl and methoxycarbonyl groups have β-orientations, whereas the 2-cyanoethyl group has an α-orientation. In the triterpenoid skeleton, the seven-membered lactam ring, as well as the three six-membered carbocyclic rings, have chair conformations. In the crystal, molecules are linked via nonclassical C—H
O hydrogen bonds into layers parallel to the ab plane.
O hydrogen bonds into layers parallel to the ab plane.organic compoundsOpen access
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The title compound, C17H15Br2NO6S2·C2H5OH, is the esterification reaction product of 2-(8,10-dibromo-2,6-dioxo-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4′,3′:4,5]thiopyrano[2,3-d]thiazol-5a-yl)acetic acid. Cleavage of the lactone ring and formation of ethoxycarbonyl and hydroxy groups from its structural elements were observed. On the other hand, the carboxymethyl group was not esterified. The H atom and carboxymethyl group, both at stereogenic centres, show a cis conformation. The six-membered dihydrothiopyran ring adopts a half-chair conformation. All NH and OH groups participate in the three-dimensional hydrogen-bond network, which is additionally strengthened by C—HO and C—HS interactions. Intramolecular O—HBr and C—HO interactions also occur.
O and C—HS interactions. Intramolecular O—HBr and C—HO interactions also occur.organic compoundsOpen access
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In the title compound, C17H14ClNO2, the p-chlorobenzyloxy residue assumes an E conformation with respect to the benzofuran system. The carbo- and heterocyclic systems make a dihedral angle of 47.99 (4)°. In the crystal, there are no significant intermolecular interactions present.
