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Crystal structure of betulinic acid methanol monosolvate.

Tang W, Chen NH, Li GQ, Wang GC, Li YL - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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).

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Affiliation: Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China.

ABSTRACT
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, 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).

No MeSH data available.


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The molecular structure of the title compound showing 50% probability displacement ellipsoids and the atom-numbering scheme.
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Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids and the atom-numbering scheme.


Crystal structure of betulinic acid methanol monosolvate.

Tang W, Chen NH, Li GQ, Wang GC, Li YL - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title compound showing 50% probability displacement ellipsoids and the atom-numbering scheme.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257419&req=5

Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids and the atom-numbering scheme.
Bottom Line: 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).

View Article: PubMed Central - HTML - PubMed

Affiliation: Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou 510632, People's Republic of China.

ABSTRACT
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, 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).

No MeSH data available.


Related in: MedlinePlus