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- Title
X-ray Crystal Structure of Grandiflorenic Acid [(−)-kaura-9(11)-16-dien-19-oic Acid] Methyl Ester, a Compound Formerly Considered as an Oily Derivative.
- Authors
Perla Cruz-Mondragón; M. Concepción Lozada; Benjamín Ortiz; Raúl Enríquez; Manuel Soriano-García
- Abstract
Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2), C21H30O2, was synthesized from grandiflorenic acid, isolated from the plant Montanoa tomentosa. Compound (2) was formerly described as an oily derivative. X-ray diffraction analysis of (2) demonstrated that it consists of four rings, three six-membered rings (I, II and III) and one five-membered ring (IV). I, II and III rings occur in chair, twist, and envelope conformations, respectively. Ring IV occurs in a conformation between envelope and half-chair. The crystal of grandiflorenic acid methyl ester is in monoclinic crystal system with space group P21, lattice constants: a = 7.2170(10), b = 11.4170(10), c = 11.2850(10) Å, β = 98.700(10)°, V = 919.1(2) Å3 and Z = 2. Index Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2) was synthesized. This compound was formerly considered as an oily derivative. The crystal structure of (2) was obtained by determination of X-ray diffraction from suitable single crystals.
- Subjects
OPTICAL diffraction; MONTANOA; CRYSTALS; CRYSTALLOGRAPHY
- Publication
Journal of Chemical Crystallography, 2009, Vol 39, Issue 7, p474
- ISSN
1074-1542
- Publication type
Article
- DOI
10.1007/s10870-008-9507-7