Alantolactone - étalon analytique, ≥97% (HPLC) , CAS No.546-43-0

CAS: 546-43-0 Cat. No.: A114070 Formule: C₁₅H₂₀O₂ Poids moléculaire: 232.32 Numéro CE: 208-899-3

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DISPONIBLE À COMMANDE

GRADE & PURITY Analytical standard ? ≥97%(HPLC)

Synonyms

Storage

A l'abri de la lumière,A conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Citations of This Product Références Calculateurs de solution Avis

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Why this grade

étalon analytique, ≥97% (HPLC) Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

A l'abri de la lumière,A conserver à -20°C Ships Glacière + blocs de glace 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

L'alantolactone est une lactone sesquiterpénique qui perturbe les complexes Cripto-1/ActRII, ce qui entraîne une induction de la signalisation activine/SMAD3. L'alantolactone inhibe la prolifération des cellules cancéreuses sans affecter les cellules normales

Specifications

Synonymes

Spécifications et pureté

étalon analytique, ≥97% (HPLC)

Conditions de stockage de stockage

A l'abri de la lumière,A conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Étalon d'analyse

Pureté

≥97%(HPLC)

Noms et identifiants

Pubchem Sid	528771132
Sourires canoniques	CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
IUPAC Name	(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
InChIKey	PXOYOCNNSUAQNS-AGNJHWRGSA-N
INCHI	1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
Isomères SMILES	C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C
WGK Allemagne	3
Poids moléculaire	232.32
Reaxy-Rn	102198
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102198&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Classe Prenol lipids
    - Subclass Terpene lactones
      - Level5 Sesquiterpene lactones
        Level6 Eudesmanolides, secoeudesmanolides, and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Classe	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Sesquiterpene lactones
Direct Parent	Eudesmanolides, secoeudesmanolides, and derivatives
Alternative Parents	Sesquiterpenoids Naphthofurans Gamma butyrolactones Tetrahydrofurans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Eudesmanolide - Sesquiterpenoid - Naphthofuran - Gamma butyrolactone - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This 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	Eudesmane sesquiterpenoids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Structure 3D

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Article
K1208029	Certificate of Analysis	Nov 06, 2025	A114070
G2329055	Certificate of Analysis	May 09, 2025	A114070
G2329064	Certificate of Analysis	May 09, 2025	A114070
A2203210	Certificate of Analysis	Oct 08, 2023	A114070

Sensibilité	light sensitive
Poids moléculaire	232.320 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	232.146 Da
Monoisotopic Mass	232.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	421.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Alantolactone - étalon analytique, ≥97% (HPLC) , CAS No.546-43-0

Why this grade

Storage & shipping

Quality documents

Literature proof

Vue d’ensemble

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Avis des clients

📚 Citations by Application

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