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Methyl 7-oxo-12-propyl-amino-13-nitro-deisopropyl-dehydro-abietate.

ABSTRACT: In the title compound, C(21)H(28)N(2)O(5) (systematic name: methyl 1,4a-dimethyl-7-nitro-9-oxo-6-propyl-amino-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthrene-1-carboxyl-ate) the cyclo-hexane ring (A) and the central cyclo-hexene ring (B) exist at a trans ring junction, with the two methyl groups in the axial positions of the six-membered rings. Ring A has a chair conformation and ring B a half-chair conformation. An intra-molecular N-H?O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular C-H?O and N-H?O inter-actions.

SUBMITTER: Wang K

PROVIDER: S-EPMC2983386 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Methyl 7-oxo-12-propyl-amino-13-nitro-deisopropyl-dehydro-abietate.

Wang Kai K Zhang Ye Y Yi Xiang-Hui XH Zhang Yong Y Pan Ying-Ming YM

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

In the title compound, C(21)H(28)N(2)O(5) (systematic name: methyl 1,4a-dimethyl-7-nitro-9-oxo-6-propyl-amino-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthrene-1-carboxyl-ate) the cyclo-hexane ring (A) and the central cyclo-hexene ring (B) exist at a trans ring junction, with the two methyl groups in the axial positions of the six-membered rings. Ring A has a chair conformation and ring B a half-chair conformation. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal structure is stabilized by i ...[more]

PMID: 21587581

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