(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one, 98%

Name: (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one
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CAS Number

63968-64-9

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IUPAC name	(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
inchi	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
inchi key	BLUAFEHZUWYNDE-NNWCWBAJSA-N
molecular formula	C15H22O5
synonyms	artemisinin Qinghaosu 63968-64-9 Arteannuin Huanghuahaosu
Compound Description	-artemisinin is a sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial and a plant metabolite. It is a sesquiterpene lactone and an organic peroxide. Artemisinin has been used in trials studying the treatment of Schizophrenia, Malaria, Falciparum, and Plasmodium Falciparum. Artemisinin has been reported in Artemisia lancea, Artemisia annua, and other organisms with data available.

Computed Properties

Molecular Weight:	282.33 g/mol
XLogP3:	2.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	282.14672380 g/mol
Monoisotopic Mass:	282.14672380 g/mol
Topological Polar Surface Area:	54 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	452
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	7
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Org. Perox. D (91.7%) Aquatic Acute 1 (88.9%) Aquatic Chronic 1 (91.7%)
precautionary statement codes	P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501
hazard statements	H242 (91.7%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides] H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (91.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
inchi	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
inchi key	BLUAFEHZUWYNDE-NNWCWBAJSA-N
molecular formula	C15H22O5
synonyms	artemisinin Qinghaosu 63968-64-9 Arteannuin Huanghuahaosu
Compound Description	-artemisinin is a sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial and a plant metabolite. It is a sesquiterpene lactone and an organic peroxide. Artemisinin has been used in trials studying the treatment of Schizophrenia, Malaria, Falciparum, and Plasmodium Falciparum. Artemisinin has been reported in Artemisia lancea, Artemisia annua, and other organisms with data available.

Computed Properties

Molecular Weight:	282.33 g/mol
XLogP3:	2.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	282.14672380 g/mol
Monoisotopic Mass:	282.14672380 g/mol
Topological Polar Surface Area:	54 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	452
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	7
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Org. Perox. D (91.7%) Aquatic Acute 1 (88.9%) Aquatic Chronic 1 (91.7%)
precautionary statement codes	P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501
hazard statements	H242 (91.7%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides] H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (91.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Product No: CK5961

(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one, 98%

Product No: CK5961

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: CK5961

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?