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Kallolide A acetate pyrazoline.

ABSTRACT: IN THE CRYSTAL STRUCTURE OF KALLOLIDE A ACETATE PYRAZOLINE [SYSTEMATIC NAME: 7-methyl-16-oxo-4,10-bis-(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza-tetra-cyclo-[9.4.2.1(6,9).0(1,12)]octa-deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member-ed carbon macrocyclic structure. In addition, there is a tris-ubstituted furan ring, an approximately planar ?-lactone ring [maximum deviation of 0.057?(3)?Å] and a pyraz-oline ring, the latter in an envelope conformation. The pyrazoline and the ?-lactone rings are fused in a cis configuration. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming a two-dimensional network parallel to (001). An intra-molecular C-H?O hydrogen bond is also present.

SUBMITTER: Rodriguez-Escudero I

PROVIDER: S-EPMC3254402 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Kallolide A acetate pyrazoline.

Rodríguez-Escudero Idaliz I Marrero Jeffrey J Rodríguez Abimael D AD

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

IN THE CRYSTAL STRUCTURE OF KALLOLIDE A ACETATE PYRAZOLINE [SYSTEMATIC NAME: 7-methyl-16-oxo-4,10-bis-(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza-tetra-cyclo-[9.4.2.1(6,9).0(1,12)]octa-deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member-ed carbon macrocyclic structure. In addition, there is a tris-ubstituted furan ring, an approximately planar γ-lactone ring [maximum deviation of 0.057 (3) Å] and a pyraz-oline ring, the latter in an envelope conformation. The pyrazoline and th ...[more]

PMID: 22259545

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