Atractylenolide III - 10mM in DMSO , CAS No.73030-71-4

CAS: 73030-71-4 Cat. No.: A580302 Molecular Weight: 248.32
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
Atractylodes japonica | AC-34013 | Atractylenolide beta | Z3234884883 | AtractylenolideIII | Atractylenolide-III | aphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)- | Atractylenolide III | Nap
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
A580302-1ml
1
$93.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

General description:

Atractylenolide III is a biologically active sesquiterpene compound, extracted from the roots of Atractylodes macrocephala Koidzumi.


Application:

Atractylenolide III has been used to examine its effects on the energy metabolism in the skeletal muscles of mouse.

Atractylenolide III, a sesquiterpenoid, is a phytochemical that may be used to study its anti-inflammatory and anti-angiogenesis activities. Atractylenolide III may be used and studied as an inhibitor of aromatases and inducer of apoptosis. Atractylenolide III may be used to study its sonic hedgehog pathway dependent mechanism of action as an inducer of chondrogenic differentiation. Atractylenolide III may be used as a reference material in assays to detect its presence in plant root extracts and biological milieu such as plasma.

Specifications

Synonyms
Atractylodes japonica | AC-34013 | Atractylenolide beta | Z3234884883 | AtractylenolideIII | Atractylenolide-III | aphtho[2, 3-b]furan-2(4H)-one, 4a, 5, 6, 7, 8, 8a, 9, 9a-octahydro-9a-hydroxy-3, 8a-dimethyl-5-methylene-, (4aS, 8aR, 9aS)- | Atractylenolide III | Nap
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Atractylenolide III has been shown to possess anti-inflammatory effects and also offers gastroprotection. It also shows acaricidal properties and hence has the potential to be used as an agent for the control of dust mites. Atractylenolide III is capable
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
IUPAC Name(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
InChIKeyFBMORZZOJSDNRQ-GLQYFDAESA-N
INCHI1S/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
Isomeric SMILES CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
Molecular Weight 248.32
Reaxy-Rn 38117131
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38117131&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTerpene lactones
Intermediate Tree Nodes Sesquiterpene lactones
Direct ParentEudesmanolides, secoeudesmanolides, and derivatives
Alternative Parents Sesquiterpenoids  Naphthofurans  Butenolides  Enoate esters  Lactones  Hemiacetals  Cyclic alcohols and derivatives  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Eudesmanolide - Sesquiterpenoid - Naphthofuran - 2-furanone - Cyclic alcohol - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Hemiacetal - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.
External Descriptors naphthofuran
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SOAT2 Tchem Acyl coenzyme A:cholesterol acyltransferase 2 (288 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Soat1 Acyl coenzyme A:cholesterol acyltransferase 1 (295 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHO-K1 (1115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight248.320 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.141 Da
Monoisotopic Mass248.141 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count18
Formal Charge0
Complexity476.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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