Catalog No.:AA005OM4

72826-63-2 | (3R,3AS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one

Name: Name:(3R,3AS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one
Brand: AABLOCKS
SKU: AA005OM4
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA005OM4

Chemical Name:

(3R,3AS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one

CAS Number:

72826-63-2

Molecular Formula:

C15H22O4

Molecular Weight:

266.3328

MDL Number:

MFCD09952174

SMILES:

C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@@](O3)(O[C@H]4OC(=O)[C@@H]2C)C

Properties

Form:

Solid

MP:

111 - 113°C

Storage:

-20 ℃;

Computed Properties

Complexity:

436

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

XLogP3:

2.7

Downstream Synthesis Route

63968-64-9

72826-63-2

[1]HelveticaChimicaActa,1996,vol.79,p.1475-1487

[2]PlantaMedica,1994,vol.60,p.54-57

[3]JournalofMedicinalChemistry,1988,vol.31,p.645-650

[4]EuropeanJournalofMedicinalChemistry,2015,vol.103,p.17-28

[5]JournalofMedicinalChemistry,2003,vol.46,p.4244-4258

[6]Patent:WO2003/95444,2003,A1.Locationinpatent:Page/Pagecolumn41;68

[7]JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,p.4279-4283

[8]Tetrahedron,1983,vol.39,p.2941-2946

[9]Heterocycles,1989,vol.28,p.421-424

[10]JournalofNaturalProducts,1997,vol.60,p.325-330

[11]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.2421-2429

[12]Patent:CN106146537,2016,A.Locationinpatent:Paragraph0287

80286-58-4

72826-63-2

[1]Tetrahedron,1986,vol.42,p.819-828

Literature

Title: Dihydroartemisinin inhibits the human erythroid cell differentiation by altering the cell cycle.

Journal: Toxicology 20121009

Title: Topological study of the late steps of the artemisinin decomposition process: modeling the outcome of the experimentally obtained products.

Journal: The journal of physical chemistry. B 20110120

Title: Biotransformation of artemisinin using cell suspension cultures of Catharanthus roseus (L.) G.Don and Lavandula officinalis L.

Journal: Biotechnology letters 20100801

Title: Artemisinin directly targets malarial mitochondria through its specific mitochondrial activation.

Journal: PloS one 20100101

Title: Bioconversion of artemisinin to its nonperoxidic derivative deoxyartemisinin through suspension cultures of Withania somnifera Dunal.

Journal: Zeitschrift fur Naturforschung. C, Journal of biosciences 20100101

Title: Growth inhibition activity of thioacetal artemisinin derivatives against human umbilical vein endothelial cells.

Journal: Bioorganic & medicinal chemistry letters 20031103

Title: Structure-activity relationships of the antimalarial agent artemisinin. 8. design, synthesis, and CoMFA studies toward the development of artemisinin-based drugs against leishmaniasis and malaria.

Journal: Journal of medicinal chemistry 20030925

Title: Antiulcerogenic activity of some sesquiterpene lactones isolated from Artemisia annua.

Journal: Planta medica 20020601

Title: Deoxyartemisinin derivatives from photooxygenation of anhydrodeoxydihydroartemisinin and their cytotoxic evaluation.

Journal: Journal of natural products 20020201

Title: Structure-activity relationships of the antimalarial agent artemisinin. 6. The development of predictive in vitro potency models using CoMFA and HQSAR methodologies.

Journal: Journal of medicinal chemistry 20020117

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