≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=C(C(=C2C3=C1C(=O)OC4=C3C(=CC5=C4OCO5)C(=O)O2)OC)OC |
|---|---|
| IUPAC Name | 12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione |
| InChIKey | QQLURXJDJDJYQV-UHFFFAOYSA-N |
| INCHI | 1S/C18H12O9/c1-21-12-10-9-8-6(17(19)26-14(9)16(23-3)15(12)22-2)4-7-11(25-5-24-7)13(8)27-18(10)20/h4H,5H2,1-3H3 |
| Isómeros SMILES | COC1=C(C(=C2C3=C1C(=O)OC4=C3C(=CC5=C4OCO5)C(=O)O2)OC)OC |
| CAS alternativo | 69251-99-6 |
| PubChem CID | 125749 |
| Número NSC | 602666 |
| Términos de entrada MeSH | 3,4,5-O-trimethyl-3',4'-O,O-methylidineflavellagic acid;3,4,5-TMMF |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | 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 1-benzopyrans 2-benzopyrans Benzodioxoles Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Lactones Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydrolyzable tannin - Ellagic_acid - Coumarin - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - Benzodioxole - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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) that 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 |
| Peso molecular | 372.300 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 372.048 Da |
| Monoisotopic Mass | 372.048 Da |
| Topological Polar Surface Area | 98.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| 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 |
