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7-Deacetyl-gedunin.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-1-(furan-3-yl)-5-hy-droxy-4b,7,7,10a,12a-penta-methyl-4b,5,6,6a,7,10a,10b,11,12,12a-deca-hydro-naphtho-[2,1-f]oxireno[2,3-d]isochromene-3,8(1H,3aH)-dione], C(26)H(32)O(6), which is a limonoid-type triterpene isolated from the seeds of X. moluccensis, crystallizes with three independent mol-ecules with very similar geometries in the asymmetric unit. In each mol-ecule, the four fused six-membered rings of the genudin core adopt distorted half-chair, chair, twist-boat and twisted half-chair conformations. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into helical chains propagated in [100]. Weak non-classical C-H?O contacts further consolidate the crystal packing.

SUBMITTER: Ravangpai W

PROVIDER: S-EPMC3050298 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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7-Deacetyl-gedunin.

Ravangpai Warin W Theerawattananond Thapong T Pengpreecha Somjai S Muangsin Nongnuj N Pudhom Khanitha K

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

THE TITLE COMPOUND [SYSTEMATIC NAME: (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-1-(furan-3-yl)-5-hy-droxy-4b,7,7,10a,12a-penta-methyl-4b,5,6,6a,7,10a,10b,11,12,12a-deca-hydro-naphtho-[2,1-f]oxireno[2,3-d]isochromene-3,8(1H,3aH)-dione], C(26)H(32)O(6), which is a limonoid-type triterpene isolated from the seeds of X. moluccensis, crystallizes with three independent mol-ecules with very similar geometries in the asymmetric unit. In each mol-ecule, the four fused six-membered rings of the genudin core ...[more]

PMID: 21522665

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