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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,3'-Di-O-methylellagic acid - ≥98% , CAS No.2239-88-5
Synonyms
3,8-Di-O-methylellagicacid | Q-100921 | AKOS032948447 | [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,7-dihydroxy-3,8-dimethoxy- | NCGC00160203-01 | MFCD01083342 | 3,8-Di-O-methylellagic acid | PD125617 | AS-6190 | A878545 | CAA23988 | SCHEMBL941032
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light Ships Wet ice 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
3, 8-Di-O-methylellagicacid | Q-100921 | AKOS032948447 | [1]Benzopyrano[5, 4, 3-cde][1]benzopyran-5, 10-dione, 2, 7-dihydroxy-3, 8-dimethoxy- | NCGC00160203-01 | MFCD01083342 | 3, 8-Di-O-methylellagic acid | PD125617 | AS-6190 | A878545 | CAA23988 | SCHEMBL941032
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504763888 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763888 Canonical Smiles COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O IUPAC Name 6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione InChIKey KLAGYIBJNXLDTL-UHFFFAOYSA-N INCHI 1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3 Isomeric SMILES COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O Molecular Weight 330.25 Reaxy-Rn 343685 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=343685&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 Phenylpropanoids and polyketides Class Tannins Subclass Hydrolyzable tannins Intermediate Tree Nodes Not available Direct Parent Hydrolyzable tannins Alternative Parents Ellagic acids and derivatives Isocoumarins and derivatives Coumarins and derivatives 2-benzopyrans 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Hydrolyzable tannin - Ellagic_acid - Isocoumarin - Coumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 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 Sensitivity Light sensitive Refractive Index 1.712 Flash Point(°C) 258.2°C Boil Point(°C) 675.2°C at 760 mmHg Molecular Weight 330.240 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 2 Exact Mass 330.038 Da Monoisotopic Mass 330.038 Da Topological Polar Surface Area 112.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 502.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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