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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > Atractylenolide III
Atractylenolide III structure, CAS 73030-71-4

Atractylenolide III

CAS Number73030-71-4

SynonymsAtractylenolide III; codonolactone; ATRACTYLENOLIDE; 8-HYDROXYASTEROLIDE

Molecular FormulaC15H20O3

Molecular Weight248.32

Purity98.00%

Density1.2±0.1 g/cm3

Boiling Point424.6±45.0 °C at 760 mmHg

Melting Point200-201ºC

Flash Point

Appearancewhite to off-white

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Cat. No.: 2A-9047531 Purity: 98.00%
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Quality Control of [ 73030-71-4 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number73030-71-4
Catalog No.2A-9047531
Chinese Name白术内酯III； 苍术内酯III
SynonymsAtractylenolide III; codonolactone; ATRACTYLENOLIDE; 8-HYDROXYASTEROLIDE
Molecular FormulaC15H20O3
Molecular Weight248.32
Purity98.00
Density1.2±0.1 g/cm3
Boiling Point424.6±45.0 °C at 760 mmHg
Melting Point200-201ºC
Appearancewhite to off-white
Water Solubilitymethanol: soluble1mg/mL, clear, colorless
Storage ConditionStore in an airtight container in a cool, dry plac
ApplicationAtractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells.
PubChem ID10252778
SMILESC=C1CCCC2(C)CC3(O)OC(=O)C(C)=C3CC12
InChIInChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChI KeyFBMORZZOJSDNRQ-GLQYFDAESA-N
Hazard Symbolstransportation
BioactivityAtractylenolide III is a major component of Atractylodes rhizome can induce apoptosis of the lung carcinoma cells.IC50 value:Target: Anticancer natural compoundin vitro: ATL-III inhibited cell growth, increased lactate dehydrogenase release and modulated cell cycle on human lung carcinoma A549 cells. ALT-III induced the activation of caspase-3 and caspase-9 and cleavage of poly-(ADP)-ribose polymerase. ATL-III induced the release of cytochrome c, upregulation of bax expression, and translocation of apoptosis-inducing factor [1]. Atractylenolide II did not show cytoprotective effects, but oral administration of atractylenolide III dose-dependently prevented ethanol-induced PRGM cell death and cell membrane damage. The EC50 values were 0.27 and 0.34 mm, respectively [2]. Against adult D. pteronyssinus, atractylenolide III (LD50, 73.8 mg/m2) and atractylon (72.1 mg/m2) were eight times more active than Deet and 2.5-fold more toxic than dibutyl phthalate [3].in vivo: In the in-vivo assay, atractylenolide III 10 mg/kg significantly reduced 70% ethanol-induced Wistar rat gastric ulcer. Atractylenolide III could inhibit matrix metalloproteinase (MMP)-2 and MMP-9 expression through upregulation of tissue inhibitors of metalloproteinase from the gastric ulcerated tissues [2]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer Natural Products >> Terpenoids and Glycosides References [1]. Kang TH, et al. Atractylenolide III, a sesquiterpenoid, induces apoptosis in human lung carcinoma A549 cells via mitochondria-mediated death pathway. Food Chem Toxicol. 2011 Feb;49(2):514-9. [2]. Wang KT, et al. Gastroprotective activity of atractylenolide III from Atractylodes ovata on ethanol-induced gastric ulcer in vitro and in vivo. J Pharm Pharmacol. 2010 Mar;62(3):381-8. [3]. Kim HK, et al. Toxicity of atractylon and atractylenolide III Identified in Atractylodes ovata rhizome to Dermatophagoides farinae and Dermatophagoides pteronyssinus. J Agric Food Chem. 2007 Jul 25;55(15):6027-31. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 424.6±45.0 °C at 760 mmHg Melting Point 200-201ºC Molecular Formula C15H20O3 Molecular Weight 248.318 Flash Point 181.1±21.5 °C Exact Mass 248.141251 PSA 46.53000 LogP 2.36 Appearance of Characters white to off-white Vapour Pressure 0.0±2.3 mmHg at 25°C Index of Refraction 1.558 InChIKey FBMORZZOJSDNRQ-GLQYFDAESA-N SMILES C=C1CCCC2(C)CC3(O)OC(=O)C(C)=C3CC12 Storage condition 2-8°C Water Solubility methanol: soluble1mg/mL, clear, colorless
Use ofProperties Name Atractylenolide III Synonym More Synonyms Atractylenolide III Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer Natural Products >> Terpenoids and Glycosides References [2]. Wang KT, et al. Gastroprotective activity of atractylenolide III from Atractylodes ovata on ethanol-induced gastric ulcer in vitro and in vivo. J Pharm Pharmacol. 2010 Mar;62(3):381-8. [3]. Kim HK, et al. Toxicity of atractylon and atractylenolide III Identified in Atractylodes ovata rhizome to Dermatophagoides farinae and Dermatophagoides pteronyssinus. J Agric Food Chem. 2007 Jul 25;55(15):6027-31. Chemical & Physical Properties Molecular Formula C15H20O3 Exact Mass 248.141251 PSA 46.53000 Appearance of Characters white to off-white Index of Refraction 1.558 InChIKey FBMORZZOJSDNRQ-GLQYFDAESA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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