Absolute Configuration of Highly Flexible Natural Products by the Solid-State ECD/TDDFT Method: Ximaolides and Sinulaparvalides

2012 ◽  
Vol 2012 (34) ◽  
pp. 6722-6728 ◽  
Author(s):  
Tibor Kurtán ◽  
Rui Jia ◽  
Yan Li ◽  
Gennaro Pescitelli ◽  
Yue-Wei Guo
2021 ◽  
Vol 16 (2) ◽  
pp. 1934578X2199334
Author(s):  
Do Thi Trang ◽  
Bui Huu Tai ◽  
Dan Thuy Hang ◽  
Pham Hai Yen ◽  
Phan Thi Thanh Huong ◽  
...  

Seven compounds (1-7) were isolated from the marine sponge Aaptos aaptos living in the Vietnamese sea. Their structures were determined as 2 hours, 5 H,7 H,9 H-9 S-hydroxy-imidazo[1,5- α]pyridine-1,3-dione (1), 3-([9-methylhexadecyl]oxy)propane-1,2-diol 2, 2,3-dihydro-2,3-dioxoaaptamine (3), indol-3-aldehyde (4), methyl indole-3-carboxylate (5) 4-hydroxy-5-(indole-3-yl)−5-oxo-pentan-2-one (6), and thymidine (7) by extensive analysis of HR-ESI-MS, 1D, and 2D NMR spectral data, as well as by comparison of the spectral data with those reported in the literature. In addition, the absolute configuration of 1 was determined from the experimental ECD spectrum and comparison of this with the theoretical ECD calculations using the TDDFT method. Compounds 1 and 2 were isolated from nature for the first time. Compound 3 induced cytotoxic activity against SK-LU-1, MCF-7, HepG2, and SK-Mel-2 cell lines with IC50 values of 41.27 ± 2.63, 40.70 ± 2.65, 34.31 ± 3.43, and 36.63 ± 1.40 µM, respectively.


RSC Advances ◽  
2017 ◽  
Vol 7 (67) ◽  
pp. 42357-42362 ◽  
Author(s):  
Najeeb Ur Rehman ◽  
Hidayat Hussain ◽  
Sulaiman Al-Shidhani ◽  
Satya Kumar Avula ◽  
Ghulam Abbas ◽  
...  

A new cembrane diterpene named incensfuran (1), biogenetically derived from incensole (2), was isolated from crude extracts of the Boswellia papyrifera Hochst.


2016 ◽  
Vol 27 (17-18) ◽  
pp. 829-833 ◽  
Author(s):  
Satya Kumar Avula ◽  
Hidayat Hussain ◽  
René Csuk ◽  
Sven Sommerwerk ◽  
Phil Liebing ◽  
...  

2019 ◽  
Vol 21 (36) ◽  
pp. 19879-19889
Author(s):  
María Mar Quesada-Moreno ◽  
Juan Ramón Avilés-Moreno ◽  
Juan Jesús López-González ◽  
Fco. Javier Zúñiga ◽  
Dolores Santa María ◽  
...  

4aα (chiral) and 4aβ (achiral) polymorphs of 1H-benzotriazole are studied by X-ray crystallography, SSNMR, IR, Raman, VCD, and quantum chemical calculations. The absolute configuration of the supramolecular structure of 4aα polymorph is determined.


Chirality ◽  
2011 ◽  
Vol 23 (8) ◽  
pp. 617-623 ◽  
Author(s):  
Hidayat Hussain ◽  
Ishtiaq Ahmed ◽  
Barbara Schulz ◽  
Siegfried Draeger ◽  
Ulrich Flörke ◽  
...  

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