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Crystal structure of 2-[(1R,2R,4aS,8aS)-2-hy-droxy-2,5,5,8a-tetra-methyl-deca-hydro-naphthalen-1-yl]-N-(o-tol-yl)acetamide.

ABSTRACT: The title compound, C23H35NO2, is an amide derivative of the lactone (+)-sclareolide, and was synthesized from natural sclareol. In the mol-ecular structure, the two six-membered rings (A and B) of the labdane skeleton are trans-fused, and adopt chair conformations. There is an intra-molecular N-H?O hydrogen bond present forming an S(7) ring motif. In the crystal, O-H?O hydrogen bonds link the mol-ecules into helical chains propagating along the b-axis direction. The chains are linked via C-H?? inter-actions, forming a three-dimensional structure.

SUBMITTER: Li DD 

PROVIDER: S-EPMC4647428 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 2-[(1R,2R,4aS,8aS)-2-hy-droxy-2,5,5,8a-tetra-methyl-deca-hydro-naphthalen-1-yl]-N-(o-tol-yl)acetamide.

Li Dang-Dang DD   Shi Xin-Wei XW   Lu Qiang-Qiang QQ   Li Sheng-Kun SK  

Acta crystallographica. Section E, Crystallographic communications 20150926 Pt 10

The title compound, C23H35NO2, is an amide derivative of the lactone (+)-sclareolide, and was synthesized from natural sclareol. In the mol-ecular structure, the two six-membered rings (A and B) of the labdane skeleton are trans-fused, and adopt chair conformations. There is an intra-molecular N-H⋯O hydrogen bond present forming an S(7) ring motif. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into helical chains propagating along the b-axis direction. The chains are linked via C-H⋯π  ...[more]

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