| Pubchem Sid | 504768531 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768531 |
| Canonical Smiles | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O.O.O |
| IUPAC Name | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione;dihydrate |
| InChIKey | ZEPCRIPMALGRJR-UHFFFAOYSA-N |
| INCHI | 1S/C14H6O8.2H2O/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19;;/h1-2,15-18H;2*1H2 |
| Isomeric SMILES | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O.O.O |
| RTECS | DJ2620000 |
| Molecular Weight | 302.19 |
| Beilstein | 19261 |
| Reaxy-Rn | 21903178 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21903178&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 7,8-dihydroxycoumarins Isocoumarins and derivatives 2-benzopyrans 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydrolyzable tannin - Ellagic_acid - 7,8-dihydroxycoumarin - Coumarin - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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) 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2218263 | Certificate of Analysis | Jan 19, 2026 | E156280 |
| C2218264 | Certificate of Analysis | Jan 19, 2026 | E156280 |
| C2218274 | Certificate of Analysis | Jan 19, 2026 | E156280 |
| D2115026 | Certificate of Analysis | Jan 15, 2025 | E156280 |
| L2425078 | Certificate of Analysis | Dec 26, 2024 | E156280 |
| F1927175 | Certificate of Analysis | Apr 13, 2023 | E156280 |
| G2311173 | Certificate of Analysis | Jan 17, 2022 | E156280 |
| G2311180 | Certificate of Analysis | Jan 17, 2022 | E156280 |
| L2425077 | Certificate of Analysis | Jan 17, 2022 | E156280 |
| Sensitivity | Light Sensitive,Air Sensitive |
|---|---|
| Melt Point(°C) | 450 °C |
| Molecular Weight | 338.220 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 0 |
| Exact Mass | 338.027 Da |
| Monoisotopic Mass | 338.027 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 | 3 |
