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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,5-Di-O-galloylshikimic acid - ≥95%(LC/MS-ELSD) , CAS No.95753-52-9
Synonyms
3,5-Di-O-galloylshikimic acid | AKOS040734023 | BDBM50469580 | Benzoic acid, 3,4,5-trihydroxy-, (1R,2S,3R)-5-carboxy-2-hydroxy-4-cyclohexene-1,3-diyl ester | GN-11 | SCHEMBL15773515 | NCGC00347854-02!(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)o
Shipped In
Ice chest + Ice pads
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Why this grade ≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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.
Overview Description
Natural product derived from plant source.}
Specifications Synonyms
3, 5-Di-O-galloylshikimic acid | AKOS040734023 | BDBM50469580 | Benzoic acid, 3, 4, 5-trihydroxy-, (1R, 2S, 3R)-5-carboxy-2-hydroxy-4-cyclohexene-1, 3-diyl ester | GN-11 | SCHEMBL15773515 | NCGC00347854-02!(3R, 4S, 5R)-4-hydroxy-3, 5-bis[(3, 4, 5-trihydroxybenzoyl)o
Specifications & Purity
≥95%(LC/MS-ELSD)
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1C(C(C(C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O IUPAC Name (3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid InChIKey GASRJYBPBZZTBO-IIDMSEBBSA-N INCHI 1S/C21H18O13/c22-10-1-8(2-11(23)16(10)26)20(31)33-14-5-7(19(29)30)6-15(18(14)28)34-21(32)9-3-12(24)17(27)13(25)4-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1 Isomeric SMILES C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O Molecular Weight 478.36 Reaxy-Rn 27605614 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27605614&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Hydroxybenzoic acid derivatives - Gallic acid and derivatives Direct Parent Galloyl esters Alternative Parents p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Cyclitols and derivatives Secondary alcohols Carboxylic acid esters Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pyrogallol derivative - Tricarboxylic acid or derivatives - Benzenetriol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Cyclitol or derivatives - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. 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 Flash Point(°F) Not applicable Flash Point(°C) Not applicable Molecular Weight 478.400 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 13 Rotatable Bond Count 7 Exact Mass 478.075 Da Monoisotopic Mass 478.075 Da Topological Polar Surface Area 232.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 788.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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