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Crystal structure of 6,7-de-hydro-royleanone isolated from Taxodium distichum (L.) Rich.

ABSTRACT: The title compound, 6,7-de-hydro-royleanone, C20H26O3 [systematic name: (4bS)-3-hy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexa-hydro-phenanthrene-1,4-dione] was isolated from Taxodium distichum (L.) Rich. The compound crystallizes in the space group P21. The crystal structure features two O-H?O hydrogen bonds, forming chains along the [010] direction.

SUBMITTER: Chen L

PROVIDER: S-EPMC5778487 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of 7β-hy-droxy-royleanone isolated from <i>Taxodium ascendens</i> (B.).

Project description:The title compound, C20H28O4 [systematic name: (4bS,8aS,10S)-3,10-dihy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa-hydro-phenanthrene-1,4-dione], is an abietane-type diterpene, which was isolated from Taxodium ascendens (B.). The compound crystallizes in the chiral space group P21, but it was not possible to determine the absolute structure of the mol-ecule in the crystal by resonant scattering. The mol-ecular structure is stabilized by two intra-molecular O-H⋯O hydrogen bonds, enclosing S(5) and S(6) ring motifs. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the [010] direction. The crystal structure of the 10R stereoisomer of the title compound, isolated from the roots of Premna obtusifolia (Verbenaceae), has been reported. It crystallized in the chiral space group P212121, and the absolute structure was determined as (4bS,8aS,10R), by resonant scattering using Cu Kα radiation [Razak et al. (2010 ▸). Acta Cryst. E66, o1566-o1567].

| S-EPMC5730285 | biostudies-literature

Crystal structure of taxodione isolated from Taxodium ascendens (B.).

Project description:The title compound [systematic name: (4bS)-4-hy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexa-hydro-phenanthrene-3,9-dione], C20H26O3, is an abietane-type diterpene, which was isolated from Taxodium ascendens (B.). In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming supra-molecular chains propagating along the [001] direction.

| S-EPMC5499300 | biostudies-other

Taxodium distichum

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Taxodium distichum var. distichum

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Crystal structure of 6,7-dihy-droxy-6,7-di-hydro-3H-imidazo[1,2-a]purin-9(5H)-one.

Project description:The title purine derivative, C7H7N5O3, is an adduct of guanine with glyoxal. In the mol-ecule, the di-hydro-imidazole ring adopts a twisted conformation on the C-C bond, and the two hydroxyl groups lie on opposite sides of the mean plane of the ring. In the crystal, the mol-ecules are linked by N-H?O, O-H?N and N-H?N hydrogen bonds forming a three-dimensional framework. The crystal packing is reinforced by C-H?O hydrogen bonds and by offset ?-? stacking of the purine ring systems of inversion related mol-ecules [inter-centroid distance = 3.4839?(12)?Å].

| S-EPMC4971859 | biostudies-other

Crystal structure of disodium 2-amino-6-oxo-6,7-di-hydro-1H-purine-1,7-diide hepta-hydrate.

Project description:In the title compound, disodium 2-amino-6-oxo-6,7-di-hydro-1H-purine-1,7-diide hepta-hydrate, 2Na(+)·C5H3N5O(2-)·7H2O, the structure is composed of alternating (100) layers of guanine mol-ecules and hydrated Na(+) ions. Within the guanine layer, the mol-ecules are arranged in centrosymmetric pairs, with a partial overlap between the guanine rings. In this compound, guanine exists as the amino-keto tautomer from which deprotonation from N1 and N7 has occurred (purine numbering). There are no direct inter-actions between the Na(+) cations and the guanine anions. Guanine mol-ecules are linked to neighboring water mol-ecules by O-H⋯N and O-H⋯O hydrogen bonds into a network structure.

| S-EPMC4350748 | biostudies-literature

High-density genetic map construction and quantitative trait loci identification for growth traits in (Taxodium distichum var. distichum × T. mucronatum) × T. mucronatum.

Project description:BACKGROUND:'Zhongshanshan' is the general designation for the superior interspecific hybrid clones of Taxodium species, which is widely grown for economic and ecological purposes in southern China. Growth is the priority objective in 'Zhongshanshan' tree improvement. A high-density linkage map is vital to efficiently identify key quantitative trait loci (QTLs) that affect growth. RESULTS:In total, 403.16 Gb of data, containing 2016,336 paired-end reads, was obtained after preprocessing. The average sequencing depth was 28.49 in T. distichum var. distichum, 25.18 in T. mucronatum, and 11.12 in each progeny. In total, 524,662 high-quality SLAFs were detected, of which 249,619 were polymorphic, and 6166 of the polymorphic markers met the requirements for use in constructing a genetic map. The final map harbored 6156 SLAF markers on 11 linkage groups, and was 1137.86 cM in length, with an average distance of 0.18 cM between adjacent markers. Separate QTL analyses of traits in different years by CIM detected 7 QTLs. While combining multiple-year data, 13 QTLs were detected by ICIM. 5 QTLs were repeatedly detected by the two methods, and among them, 3 significant QTLs (q6-2, q4-2 and q2-1) were detected in at least two traits. Bioinformatic analysis discoveried a gene annotated as a leucine-rich repeat receptor-like kinase gene within q4-2. CONCLUSIONS:This map is the most saturated one constructed in a Taxodiaceae species to date, and would provide useful information for future comparative mapping, genome assembly, and marker-assisted selection.

| S-EPMC6474422 | biostudies-literature

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