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Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo-yloxy)-3,4a-dihy-droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca-hydro-phenanthro[3,2-b]furan-4-carb-oxy-lic acid methanol monosolvate.

ABSTRACT: The title compound, C34H36O9·CH3OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95?(15) and 83.72?(14)° with the two phenyl rings of the benzo-yloxy groups. An intra-molecular C-H?O hydrogen bond is observed. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming an infinite chain along the b-axis direction.

SUBMITTER: Siddiqui S 

PROVIDER: S-EPMC4647408 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzo-yloxy)-3,4a-dihy-droxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca-hydro-phenanthro[3,2-b]furan-4-carb-oxy-lic acid methanol monosolvate.

Siddiqui Sadaf S   Erharuyi Osayemwenre O   Falodun Abiodun A   Choudhary M Iqbal MI   Yousuf Sammer S  

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

The title compound, C34H36O9·CH3OH, is a diterpenoid isolated from the roots of Caesalpinia pulcherrima (L.) Swartz. The three trans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzo-yloxy groups. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming an infinite chain alon  ...[more]

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