Abstract
The title compound [systematic name: 7α,12-dihydroxy-8,12-abietadiene,11,14-dione or (4bS,8aS,10R)-3,10-dihydroxy-2-isopropyl-4b,8,8-trimethyl-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione], C20H28O4, is an abietane diterpenoid, which was isolated from the roots of Premna obtusifolia (Verbenaceae). Its crystal structure has been reported previously [Chen et al. (2000 ▶). Jiegou Huaxue, 19, 122–125], but the absolute configuration could not be determined using data collected with Mo radiation. This redetermination using Cu radiation shows the the absolute configurations of the stereogenic centres at positions 4b, 8a and 10 to be S, S and R, respectively. Two intramolecular O—H⋯O hydrogen bonds [one generating an S(5) ring and one generating an S(6) ring] and a number of short C—H⋯O contacts occur. In the crystal, molecules are linked into infinite chains propagating in [100] by O—H⋯O hydrogen bonds and weak C—H⋯O interactions.
Highlights
The title compound [systematic name: 7,12-dihydroxy-8,12abietadiene,11,14-dione or (4bS,8aS,10R)-3,10-dihydroxy-2isopropyl-4b,8,8-trimethyl-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione], C20H28O4, is an abietane diterpenoid, which was isolated from the roots of Premna obtusifolia (Verbenaceae)
Jiegou Huaxue, 19, 122–125], but the absolute configuration could not be determined using data collected with Mo radiation
For the stability of the temperature controller used in the data collection, see Cosier & Glazer (1986)
Summary
The title compound [systematic name: 7,12-dihydroxy-8,12abietadiene,11,14-dione or (4bS,8aS,10R)-3,10-dihydroxy-2isopropyl-4b,8,8-trimethyl-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione], C20H28O4, is an abietane diterpenoid, which was isolated from the roots of Premna obtusifolia (Verbenaceae). Its crystal structure has been reported previously [Chen et al (2000). Jiegou Huaxue, 19, 122–125], but the absolute configuration could not be determined using data collected with Mo radiation. Cu radiation shows the the absolute configurations of the stereogenic centres at positions 4b, 8a and 10 to be S, S and R, respectively. Two intramolecular O—H O hydrogen bonds [one generating an S(5) ring and one generating an S(6) ring]. A number of short C—H O contacts occur. Molecules are linked into infinite chains propagating in [100] by O—H O hydrogen bonds and weak C—H O interactions
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