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Atractylenolide I - analytical standard , CAS No.73069-13-3

CAS: 73069-13-3 Cat. No.: A304497 Molecular Weight: 230.3
COA
Atractylenolide I - analytical standard CAS No(73069-13-3) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
HMS3886N08 | Atractylenolide I | Atractylenolide I, >=98% (HPLC) | s8291 | (4aS,8aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-2(4H)-one | SCHEMBL1898423 | 8,9-dehydroasterolide | BDBM50241939 | HY-N0201 | (4aS,8aS)-3,8a-dimethy
Storage
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
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 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A304497-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$185.90
10mg
A304497-10mg
2
$284.90
50mg
A304497-50mg
2
$865.90
250mg
A304497-250mg
1
$1,853.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

Atractylenolide I is the major sesquiterpenoid of the rhizome of A. macrocephala and shows a wide spectrum of pharmacological activities such as antiinflammatory, digestion promoting, and antioxidant effects.
Atractylenolide I is a phytochemical that may be used to study its anti-inflammatory and anti-angiogenesis activities. Atractylenolide I may be used and studied as a postitive modulator of GABA-induced chloride currents I(GABA) and as an inhibitor of aromatases. Atractylenolide I 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
HMS3886N08 | Atractylenolide I | Atractylenolide I, >=98% (HPLC) | s8291 | (4aS, 8aS)-3, 8a-dimethyl-5-methylene-4a, 5, 6, 7, 8, 8a-hexahydronaphtho[2, 3-b]furan-2(4H)-one | SCHEMBL1898423 | 8, 9-dehydroasterolide | BDBM50241939 | HY-N0201 | (4aS, 8aS)-3, 8a-dimethy
Specifications & Purity
analytical standard
Biochemical and Physiological Mechanisms
Phytochemical from Traditional Chinese Medicine herbal preparations. Atractylenolide I is an anti-inflammatory that is reported to inhibit angiogenesis.
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Names and Identifiers
Pubchem Sid504763600
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504763600
Canonical SmilesCC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
IUPAC Name(4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
InChIKeyZTVSGQPHMUYCRS-SWLSCSKDSA-N
INCHI1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
Isomeric SMILES CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
Molecular Weight 230.3
Reaxy-Rn 2655855
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2655855&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassNaphthofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthofurans
Alternative Parents Butenolides  Enol esters  Enoate esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Naphthofuran - 2-furanone - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
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:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
K2520171Certificate of AnalysisNov 28, 2025 A304497
J2115099Certificate of AnalysisAug 09, 2024 A304497
J2115100Certificate of AnalysisAug 09, 2024 A304497
J2115135Certificate of AnalysisAug 09, 2024 A304497
Chemical and Physical Properties
Flash Point(°C)170℃
Boil Point(°C)405.0±44.0 °C
Melt Point(°C)121-123 °C
Molecular Weight230.300 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass230.131 Da
Monoisotopic Mass230.131 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity481.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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
Reviews

Customer Reviews

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