Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid.

ABSTRACT: The title compound, C₂₀H₃₆O₂·CH₃OH [systematic name: (3S)-4-[(S)-3-hy-droxy-3-methyl-pent-4-en-1-yl]-3,4a,8,8-tetra-methyl-deca-hydro-naphthalen-3-ol methanol monosolvate], is a methanol solvate of sclareol, a diterpene oil isolated from the medicinally important medicinal herb Salvia sclarea, commonly known as clary sage. It crystallizes in space group P1 (No. 1) with Z' = 2. The sclareol mol-ecule comprises two trans-fused cyclo-hexane rings, each having an equatorially oriented hydroxyl group, and a 3-methyl-pent-1-en-3-ol side chain. In the crystal, O_s-H⋯O_s, O_s-H⋯O_m, O_m-H⋯O_s and O_m-H⋯O_m (s = sclareol, m = methanol)

SUBMITTER: Bibi M 

PROVIDER: S-EPMC7057370 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature