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· · COA & SDS available for every product · Same-day shipping on in-stock items tagitinin A - Moligand™ , Agonist of Peroxisome proliferator-activated receptor-γ, CAS No.59979-61-2, Agonist of Peroxisome proliferator-activated receptor-γ
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
[(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate | ACon0_000437 | Q27088925 | DTXSID80975404 | ACon1_000272 | BRD-K83245091-001-01-4 | MEGxp0_000075 | tagitinin A
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
[(1R, 2S, 4R, 8S, 9R, 11R, 12S)-1, 12-dihydroxy-2, 11-dimethyl-7-methylidene-6-oxo-5, 14-dioxatricyclo[9.2.1.04, 8]tetradecan-9-yl] 2-methylpropanoate | ACon0_000437 | Q27088925 | DTXSID80975404 | ACon1_000272 | BRD-K83245091-001-01-4 | MEGxp0_000075 | tagitinin A
Specifications & Purity
Moligand™
Mechanism of action
Agonist of Peroxisome proliferator-activated receptor-γ
Names and Identifiers Canonical Smiles CC1CC2C(C(CC3(C(CC1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 IUPAC Name [(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate InChIKey HREHFPZHVCNOMQ-XNNFIIJVSA-N INCHI 1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14-,15-,18+,19+/m0/s1 Isomeric SMILES C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](C[C@]1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 Alternate CAS 59979-61-2 MeSH Entry Terms tagitinin;tagitinin A;tagitinin B;tagitinin C;tagitinin D;tagitinin F;tagitinins Reaxy-Rn 6575259 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6575259&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 Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Prenol lipids Subclass Terpene lactones Intermediate Tree Nodes Sesquiterpene lactones Direct Parent Germacranolides and derivatives Alternative Parents Sesquiterpenoids Monosaccharides Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Enoate esters Secondary alcohols Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Germacranolide - Sesquiterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. External Descriptors Not available Data sources 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 368.400 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 3 Exact Mass 368.184 Da Monoisotopic Mass 368.184 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 629.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 7 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
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