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Mechanism and stereoselectivity of epoxidation reaction of a β-himachalene derivative: Insights from DFT, molecular docking, ADMET, and molecular dynamics investigations

Journal of molecular structure, 2025-01, Vol.1320, p.139664, Article 139664

2025

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Synthesis of novel spiro-pyrazole and spiro-isoxazoline derivatives of 9α- and 9β-hydroxyparthenolide

Tetrahedron letters, 2020-10, Vol.61 (42), p.152409, Article 152409

2020

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X-ray and DFT calculations of novel spiroisoxazolines derivatives

Journal of molecular structure, 2022-09, Vol.1264, p.133324, Article 133324

2022

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Synthesis, XRD structure, spectroscopy, hirshfeld surface analysis, and computational and in silico ADME studies of 13-(piperidinyl)parthenolid-9-one

Structural chemistry, 2024-10

2024

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9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

Acta crystallographica. Section E, Structure reports online, 2011-09, Vol.67 (9), p.o2226-o2227

2011

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9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

Acta crystallographica. Section E, Structure reports online, 2011-10, Vol.67 (10), p.o2768-o2769

2011

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( Z )-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2- b ]furan-9(1a H )-one

Acta crystallographica. Section E, Structure reports online, 2011-07, Vol.67 (7), p.o1698-o1699

2011

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5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5- b ]furan-2(3 H )-one

Acta crystallographica. Section E, Structure reports online, 2011-07, Vol.67 (7), p.o1760-o1761

2011

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Efficient ADE-TLM Scheme for Modeling Drude Based Graphene in Terahertz Spectrum

Progress in electromagnetics research. Letters, 2023, Vol.112, p.119-126

2023

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(1 S ,2 R ,3 R ,8 R ,10 S )-3-Chloro-2,8-dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one

Acta crystallographica. Section E, Structure reports online, 2011-11, Vol.67 (11), p.o2826-o2827

2011

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2-Isopropyl-4-methoxy-5-methylphenyl benzoate

Acta crystallographica. Section E, Structure reports online, 2010-04, Vol.66 (4), p.o850-o850

2010

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Synthesis and biological evaluation of 9α- and 9β-hydroxyamino-parthenolides as novel anticancer agents

Bioorganic & medicinal chemistry letters, 2014-08, Vol.24 (16), p.4014-4018

2014

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Access to new sequiterpenoids by catalytic acid rearrangement of 9α-hydroxyparthenolide

Tetrahedron letters, 2012-06, Vol.53 (24), p.3000-3003

2012

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Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate

IUCrData, 2020-07, Vol.5 (7), p.x200945, Article x200945

2020

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Synthesis and Antimicrobial Activity of Some New Spiropyrazoline Derivatives of 9α‐ and 9β‐Hydroxyparthenolide

ChemistrySelect (Weinheim), 2022-03, Vol.7 (11), p.n/a

2022

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Access to new sequiterpenoids by catalytic acid rearrangement of 9[alpha]-hydroxyparthenolide

Tetrahedron letters, 2012-06, Vol.53 (24), p.3000-3003

2012

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A regio- and stereoselectivity and molecular mechanism study on the addition reactions of morpholine and m-CPBA to 9α-hydroxyparthenolide using DFT calculations

Mediterranean journal of chemistry, 2020-05, Vol.10 (5)

2020

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10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecan-14-one

Acta crystallographica. Section E, Structure reports online, 2012-01, Vol.68 (1), p.o167-o168

2012

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10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]tetradecan-14-one

Acta crystallographica. Section E, Structure reports online, 2011-11, Vol.67 (11), p.o3003-o3004

2011

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10α-Hydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]tetradecan-14-one

Acta crystallographica. Section E, Structure reports online, 2011-11, Vol.67 (11), p.o2981-o2982

2011

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9β-Hydroxy-1β,10α-epoxyparthenolide

Acta crystallographica. Section E, Structure reports online, 2010-09, Vol.66 (9), p.o2395-o2395

2010

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9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

Acta crystallographica. Section E, Structure reports online, 2012-03, Vol.68 (3), p.o589-o590

2012

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9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5- b ]furan-2(3 H )-one

Acta crystallographica. Section E, Structure reports online, 2012-02, Vol.68 (2), p.o386-o386

2012

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12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

Acta crystallographica. Section E, Structure reports online, 2012-03, Vol.68 (3), p.o741-o742

2012

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10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecan-14-one

Acta crystallographica. Section E, Structure reports online, 2012-05, Vol.68 (5), p.o1309-o1310

2012

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Mechanism and stereoselectivity of epoxidation reaction of a β-himachalene derivative: Insights from DFT, molecular docking, ADMET, and molecular dynamics investigations

Synthesis of novel spiro-pyrazole and spiro-isoxazoline derivatives of 9α- and 9β-hydroxyparthenolide

X-ray and DFT calculations of novel spiroisoxazolines derivatives

Synthesis, XRD structure, spectroscopy, hirshfeld surface analysis, and computational and in silico ADME studies of 13-(piperidinyl)parthenolid-9-one

9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

( Z )-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2- b ]furan-9(1a H )-one

5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5- b ]furan-2(3 H )-one

Efficient ADE-TLM Scheme for Modeling Drude Based Graphene in Terahertz Spectrum

(1 S ,2 R ,3 R ,8 R ,10 S )-3-Chloro-2,8-dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one

2-Isopropyl-4-methoxy-5-methylphenyl benzoate

Synthesis and biological evaluation of 9α- and 9β-hydroxyamino-parthenolides as novel anticancer agents

Access to new sequiterpenoids by catalytic acid rearrangement of 9α-hydroxyparthenolide

Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate

Synthesis and Antimicrobial Activity of Some New Spiropyrazoline Derivatives of 9α‐ and 9β‐Hydroxyparthenolide

Access to new sequiterpenoids by catalytic acid rearrangement of 9[alpha]-hydroxyparthenolide

A regio- and stereoselectivity and molecular mechanism study on the addition reactions of morpholine and m-CPBA to 9α-hydroxyparthenolide using DFT calculations

10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecan-14-one

10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]tetradecan-14-one

10α-Hydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]tetradecan-14-one

9β-Hydroxy-1β,10α-epoxyparthenolide

9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5- b ]furan-2(3 H )-one

12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0 2,4 ]tetradec-7-en-13-one

10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0 2,4 .0 7,9 ]pentadecan-14-one

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