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3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester.

Froelich A, Bednarczyk-Cwynar B, Gzella AK - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The title compound, C(31)H(48)N(2)O(3), is a Beckmann rearrangement product.The isopropenyl and meth-oxy-carbonyl groups have β-orientations, whereas the 2-cyano-ethyl group has an α-orientation.In the triterpenoid skeleton, the seven-membered lactam ring, as well as the three six-membered carbocyclic rings, have chair conformations.

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ABSTRACT
The title compound, C(31)H(48)N(2)O(3), is a Beckmann rearrangement product. The isopropenyl and meth-oxy-carbonyl groups have β-orientations, whereas the 2-cyano-ethyl group has an α-orientation. In the triterpenoid skeleton, the seven-membered lactam ring, as well as the three six-membered carbocyclic rings, have chair conformations. In the crystal, mol-ecules are linked via nonclassical C-H⋯O hydrogen bonds into layers parallel to the ab plane.

No MeSH data available.


The molecular structure of (I) showing the atomic labelling scheme. Non-H atoms are drawn as 30% probability displacement ellipsoids; H atoms are shown as small spheres of arbitrary radius.
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Fap1: The molecular structure of (I) showing the atomic labelling scheme. Non-H atoms are drawn as 30% probability displacement ellipsoids; H atoms are shown as small spheres of arbitrary radius.


3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester.

Froelich A, Bednarczyk-Cwynar B, Gzella AK - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of (I) showing the atomic labelling scheme. Non-H atoms are drawn as 30% probability displacement ellipsoids; H atoms are shown as small spheres of arbitrary radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275272&req=5

Fap1: The molecular structure of (I) showing the atomic labelling scheme. Non-H atoms are drawn as 30% probability displacement ellipsoids; H atoms are shown as small spheres of arbitrary radius.
Bottom Line: The title compound, C(31)H(48)N(2)O(3), is a Beckmann rearrangement product.The isopropenyl and meth-oxy-carbonyl groups have β-orientations, whereas the 2-cyano-ethyl group has an α-orientation.In the triterpenoid skeleton, the seven-membered lactam ring, as well as the three six-membered carbocyclic rings, have chair conformations.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(31)H(48)N(2)O(3), is a Beckmann rearrangement product. The isopropenyl and meth-oxy-carbonyl groups have β-orientations, whereas the 2-cyano-ethyl group has an α-orientation. In the triterpenoid skeleton, the seven-membered lactam ring, as well as the three six-membered carbocyclic rings, have chair conformations. In the crystal, mol-ecules are linked via nonclassical C-H⋯O hydrogen bonds into layers parallel to the ab plane.

No MeSH data available.