Santonin - Moligand™, ≥98%(HPLC) , Agonist of TAS2R14, CAS No.481-06-1, Agonist of TAS2R14

CAS: 481-06-1 Cat. No.: S161431 Molecular Weight: 246.31 Beilstein Registry Number: 17(5)11,314 EC Number: 207-560-7 PubChem CID: 221071

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Santonin - Moligand™, ≥98%(HPLC) CAS No(481-06-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥98%(HPLC)

Synonyms

11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone | Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)- | SANTONIN (MART.) | UPCMLD-DP084:001 | (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads 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.

Specifications

Synonyms

11-Epiisoeusantona-1, 4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone | Naphtho(1, 2-b)furan-2, 8(3H, 4H)-dione, 3a, 5, 5a, 9b-tetrahydro-3, 5a, 9-trimethyl-, (3S, 3aS, 5aS, 9bS)- | SANTONIN (MART.) | UPCMLD-DP084:001 | (3S, 3aS, 5aS, 9bS)-3, 5a, 9-trimethyl-3a, 5, 5a, 9

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent antiparasitic agent. Sesquiterpene lactone. Shows anti-inflammatory, antipyretic and analgesic effects in vivo. Orally active.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TAS2R14

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid	504757899
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757899
Canonical Smiles	CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
IUPAC Name	(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
InChIKey	XJHDMGJURBVLLE-BOCCBSBMSA-N
INCHI	1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
Isomeric SMILES	C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
RTECS	LE3150000
Alternate CAS	481-06-1
PubChem CID	221071
NSC Number	4900
MeSH Entry Terms	Santonin
Molecular Weight	246.31
Beilstein	17(5)11,314
Reaxy-Rn	89489

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

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Sesquiterpene lactones
Direct Parent	Eudesmanolides, secoeudesmanolides, and derivatives
Alternative Parents	Sesquiterpenoids Naphthofurans Gamma butyrolactones Tetrahydrofurans Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Eudesmanolide - Sesquiterpenoid - Naphthofuran - Gamma butyrolactone - Tetrahydrofuran - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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

3D Structure

Associated Targets(Human)

TAS2R14 Tchem Taste receptor type 2 member 14 (0 Activities)

Discover Target: TAS2R14

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TNF Tclin TNF-alpha (1897 Activities)

Discover Target: TNF

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

HCT-8 (3484 Activities)

Lot Number	Certificate Type	Date	Item
H2419329	Certificate of Analysis	Jun 08, 2026	S161431
H2419341	Certificate of Analysis	Jun 08, 2026	S161431
D2415200	Certificate of Analysis	Jan 21, 2026	S161431
A2213461	Certificate of Analysis	Jul 15, 2025	S161431
H2419328	Certificate of Analysis	Jul 29, 2024	S161431
A2214138	Certificate of Analysis	Dec 27, 2021	S161431

Solubility	Soluble in Chloroform
Sensitivity	light sensitive
Specific Rotation[α]	-170 to -175 deg(C=2, CHCl3)
Melt Point(°C)	172-175℃
Molecular Weight	246.300 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	246.126 Da
Monoisotopic Mass	246.126 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	500.000
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

Santonin - Moligand™, ≥98%(HPLC) , Agonist of TAS2R14, CAS No.481-06-1, Agonist of TAS2R14

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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