The structure of acetylated napoleogenin

Spirlet, M. R.; Dupont, L.; Dideberg, Otto; Kapundu, Mpuza

doi:10.1107/s0567740880006656

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“…A similar effect was noted recently in the angelyl groups in the structure of acetylated napoleogenin* (Spirlet, Dupont, Dideberg & Kapundu, 1980), while Porte & Robertson (1959) reported a high temperature factor and possible disorder for their angelic acid structure. The bond lengths and angles in the remainder of the molecule are relatively normal and compare reasonably with those reported for other pyrrolizidine alkaloids.…”

Section: C(11)-c(13)-c(14)-0(22)supporting

confidence: 81%

The structure of lasiocarpine: a pyrrolizidine alkaloid

Hay¹,

Mackay²,

Culvenor³

1982

Acta Crystallogr Sect B

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Orthorhombic crystals of the hepatotoxic pyrrolizidine alkaloid, lasiocarpine (C21H33NOT, M r = 411.5), crystallize in the space group P212~21, with a = 10.066 (2) least-squares refinement converged at R = 0.067 for 1396 observed reflections. Lasiocarpine is a di-ester which does not form a covalent macro-ring, and the relative configuration at the asymmetric centres in the molecule is the same as in the related alkaloid, heliotrine (CI6HETNOs). An intermolecular hydrogen bond involving one of the hydroxyl substituents and the N atom links the lasiocarpine molecules into helices extending along the b axis.

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Section: C(11)-c(13)-c(14)-0(22)supporting

confidence: 81%

The structure of lasiocarpine: a pyrrolizidine alkaloid

Hay¹,

Mackay²,

Culvenor³

1982

Acta Crystallogr Sect B

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“…Ring C assumes an envelope conformation [Cremer & Pople (1975) parameters molecule A: Q = 0.565 (2) Å, θ = 51.1 (2)°, φ = 1.7 (2)°; molecule B: Q = 0.544 (2) Å, θ = 50.5 (2)°, φ = 4.5 (3)°]. 25and 3.1958 (24) Å] in comparison with the undistorted molecule of 1a,3a-dimethylcyclohexane in which the distance between the methyl carbons is merely 2.52 Å [Spirlet et al, 1980]. An additional consequence of the repulsive interactions between the methyl groups is deformation of the angles C4-C5-C10 and C8-C9-C10 to the values of 117.30 (13) and 117.33 (12)° (molecule A) and 117.90 (13) and 116.98 (13)° (molecule B).…”

mentioning

confidence: 98%

Oleanolic acid ethanol monosolvate

Froelich

Gzella

2010

Acta Cryst E

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Crystals of the title compound (systematic name: 3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate), C30H48O3·C2H5OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as two ethanol solvent molecules. Intermolecular O—H⋯O hydrogen bonds stabilize the crystal packing. In the oleanolic acid molecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol molecules are orientationally disordered [occupancy ratios of 0.742 (8):0.258 (8) and 0.632 (12):0.368 (12).

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The structure of acetylated napoleogenin

Cited by 2 publications

References 0 publications

The structure of lasiocarpine: a pyrrolizidine alkaloid

The structure of lasiocarpine: a pyrrolizidine alkaloid

Oleanolic acid ethanol monosolvate

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