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Crystal structure of betulinic acid methanol monosolvate.

ABSTRACT: The title compound [systematic name: 3?-hy-droxy-lup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type penta-cyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carb-oxy-lic acid group and the olefinic group is 12.17?(18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O-H?O hydrogen bonds involving the hy-droxy and carb-oxy-lic acid groups and the methanol solvent mol-ecule give rise to a two-dimensional network structure lying parallel to (001).

SUBMITTER: Tang W

PROVIDER: S-EPMC4257419 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of betulinic acid methanol monosolvate.

Tang Wei W Chen Neng-Hua NH Li Guo-Qiang GQ Wang Guo-Cai GC Li Yao-Lan YL

Acta crystallographica. Section E, Structure reports online 20141108 Pt 12

The title compound [systematic name: 3β-hy-droxy-lup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type penta-cyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carb-oxy-lic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, ...[more]

PMID: 25553022

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