The re-investigated structure of the title compound, [Cu 2 I 2 (C 12 H 10 N 2 )] n , a two-dimensional coordination polymer crystallizing with monoclinic ( P 2 1 / n ) symmetry, is based on data collected at 100 K, while the previously reported structure was obtained with data collected at 203 K [Blake et al. (1999). Cryst. Eng. 2 , 181–195]. The refinement of the crystal structure is greatly improved; for example, the wR 2 residual converges to 0.047 for 1532 independent data, versus wR 2 = 0.179 for 992 independent data in the 1999 study.
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The Kavaratamides: Discovery of Linear Lipodepsipeptides from the Marine Cyanobacterium Moorena bouillonii Using a Comparative Chemogeographic Analysis
Kavaratamide A (1), a new linear lipodepsipeptide possessing an unusual isopropyl-O-methylpyrrolinone moiety, was discovered from the tropical marine filamentous cyanobacterium Moorena bouillonii collected from Kavaratti, India. A comparative chemogeographic analysis of M. bouillonii collected from six different geographical regions led to the prioritized isolation of this metabolite from India as distinctive among our data sets. AI-based structure annotation tools, including SMART 2.1 and DeepSAT, accelerated the structure elucidation by providing useful structural clues, and the full planar structure was elucidated based on comprehensive HRMS, MS/MS fragmentation, and NMR data interpretation. Subsequently, the absolute configuration of 1 was determined using advanced Marfey’s analysis, modified Mosher’s ester derivatization, and chiral-phase HPLC. The structures of kavaratamides B (2) and C (3) are proposed based on a detailed analysis of their MS/MS fragmentations. The biological activity of kavaratamide A was also investigated and found to show moderate cytotoxicity to the D283-medullablastoma cell line.
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- Award ID(s):
- 2011924
- PAR ID:
- 10589409
- Publisher / Repository:
- ACS
- Date Published:
- Journal Name:
- Journal of Natural Products
- Volume:
- 87
- Issue:
- 6
- ISSN:
- 0163-3864
- Page Range / eLocation ID:
- 1601 to 1610
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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