Secondary Metabolites Isolated from an EndophyticPhoma sp. – Absolute Configuration of Tetrahydropyrenophorol Using the Solid-State TDDFT CD Methodology

2007 ◽  
Vol 2007 (19) ◽  
pp. 3206-3211 ◽  
Author(s):  
Karsten Krohn ◽  
Umar Farooq ◽  
Ulrich Flörke ◽  
Barbara Schulz ◽  
Siegfried Draeger ◽  
...  
Keyword(s):  
Solid State ◽  
Secondary Metabolites ◽  
Absolute Configuration

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
Keyword(s):  
Natural Products ◽  
Solid State ◽  
Absolute Configuration ◽  
Tddft Method

scholarly journals Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state

RSC Advances ◽  
2017 ◽  
Vol 7 (67) ◽  
pp. 42357-42362 ◽  
Author(s):  
Najeeb Ur Rehman ◽  
Hidayat Hussain ◽  
Sulaiman Al-Shidhani ◽  
Satya Kumar Avula ◽  
Ghulam Abbas ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Absolute Configuration ◽  
X Ray ◽  
Crude Extracts ◽  
Boswellia Papyrifera

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

scholarly journals 5- epi -Incensole: synthesis, X-ray crystal structure and absolute configuration by means of ECD and VCD studies in solution and solid state

2016 ◽  
Vol 27 (17-18) ◽  
pp. 829-833 ◽  
Author(s):  
Satya Kumar Avula ◽  
Hidayat Hussain ◽  
René Csuk ◽  
Sven Sommerwerk ◽  
Phil Liebing ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Absolute Configuration ◽  
X Ray

The synergy of different solid-state techniques to elucidate the supramolecular assembly of two 1H-benzotriazole polymorphs

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 ◽  
...  
Keyword(s):  
Solid State ◽  
Quantum Chemical Calculations ◽  
Absolute Configuration ◽  
Quantum Chemical ◽  
Supramolecular Structure ◽  
Supramolecular Assembly ◽  
X Ray ◽  
X Ray Crystallography ◽  
The Absolute

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.

Solid-state circular dichroism and hydrogen bonding: Absolute configuration of massarigenin A from Microsphaeropsis sp

Chirality ◽  
2011 ◽  
Vol 23 (8) ◽  
pp. 617-623 ◽  
Author(s):  
Hidayat Hussain ◽  
Ishtiaq Ahmed ◽  
Barbara Schulz ◽  
Siegfried Draeger ◽  
Ulrich Flörke ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Circular Dichroism ◽  
Solid State ◽  
Absolute Configuration ◽  
Circular Dichroïsm

scholarly journals Solid State Structure and Absolute Configuration of Filifolinol Acetate

2011 ◽  
Vol 6 (6) ◽  
pp. 1934578X1100600
Author(s):  
Marcelo A. Muñoz ◽  
Alejandro Urzúa ◽  
Javier Echeverría ◽  
Brenda Modak ◽  
Pedro Joseph-Nathan
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Absolute Configuration ◽  
Spectroscopic Data ◽  
Density Functional ◽  
Vibrational Circular Dichroism ◽  
State Structure ◽  
Functional Theory ◽  
X Ray ◽  
C Nmr

Careful reevaluation of the 1H and 13C NMR spectroscopic data of filifolinol acetate (4) led to the reassignment of the C-10 and C-11 signals, as well as the gem-dimethyl signals. Single crystal X-ray analysis provided an independent structural confirmation of 4, and comparison of the experimental vibrational circular dichroism spectrum with calculations performed using density functional theory provided the absolute configuration of this 3H-spiro-1-benzofuran-2,1′-cyclohexane and related molecules.

scholarly journals Fast Detection of Two Smenamide Family Members Using Molecular Networking

Marine Drugs ◽  
2019 ◽  
Vol 17 (11) ◽  
pp. 618 ◽  
Author(s):  
Alessia Caso ◽  
Germana Esposito ◽  
Gerardo Della Sala ◽  
Joseph R. Pawlik ◽  
Roberta Teta ◽  
...  
Keyword(s):  
Secondary Metabolites ◽  
Cell Lines ◽  
Absolute Configuration ◽  
Antiproliferative Activity ◽  
Spectroscopic Analysis ◽  
Alkyl Chain ◽  
Molecular Networking ◽  
New Members ◽  
Fast Detection ◽  
Mcf 7

Caribbean sponges of the genus Smenospongia are a prolific source of chlorinated secondary metabolites. The use of molecular networking as a powerful dereplication tool revealed in the metabolome of S. aurea two new members of the smenamide family, namely smenamide F (1) and G (2). The structure of smenamide F (1) and G (2) was determined by spectroscopic analysis (NMR, MS, ECD). The relative and the absolute configuration at C-13, C-15, and C-16 was determined on the basis of the conformational rigidity of a 1,3-disubstituted alkyl chain system (i.e., the C-12/C-18 segment of compound (1). Smenamide F (1) and G (2) were shown to exert a selective moderate antiproliferative activity against cancer cell lines MCF-7 and MDA-MB-231, while being inactive against MG-63.

scholarly journals Flowers in Australia: Phytochemical Studies on the Illawarra Flame Tree and Alstonville

2016 ◽  
Vol 69 (8) ◽  
pp. 925 ◽  
Author(s):  
Rudi Hendra ◽  
Paul A. Keller
Keyword(s):  
Circular Dichroism ◽  
Methyl Ester ◽  
Secondary Metabolites ◽  
Absolute Configuration ◽  
Circular Dichroism Spectroscopy ◽  
Purple Colour ◽  
Traditional Uses ◽  
Phytochemical Studies ◽  
First Time ◽  
Circular Dichroïsm

The first reported phytochemical studies on two species of flowers in Australia enabled the identification of six secondary metabolites from Illawarra flame tree flower (Brachychiton acerifolius) and seven secondary metabolites from the flowers of the Alstonville (Tibouchina lepidota). Pelargonidin 3-(6-coumarylglucoside)-5-(6-acetylglucoside) was found to be responsible for the red colour of B. acerifolius, whereas malvidin 3-(coumarylglucoside)-5-(acetylxyloside) was responsible for the purple colour of (T. lepidota) flowers. (2S)-4,5-Dihydroxyflavanone 7-O-β-d-glucuronide methyl ester was isolated for the first time from B. acerifolius, and its absolute configuration was determined by circular dichroism spectroscopy. Some of the traditional uses of B. acerifolius could also be correlated with the known activity of the isolated metabolites.

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