≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772145 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772145 |
| Canonical Smiles | CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O |
| IUPAC Name | hexyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate |
| InChIKey | UBQFTTUFRSSOHE-UHFFFAOYSA-N |
| INCHI | 1S/C19H22O7/c1-3-4-5-6-7-26-19(24)12-8-11-10-14(25-2)17(22)18(23)15(11)16(21)13(20)9-12/h8-10,22-23H,3-7H2,1-2H3,(H,20,21) |
| Isomeric SMILES | CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O |
| WGK Germany | 3 |
| Molecular Weight | 362.37 |
| Reaxy-Rn | 35435054 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35435054&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 | Hydrocarbon derivatives |
| Class | Tropones |
| Subclass | Tropolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropolones |
| Alternative Parents | Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Cyclic ketones Carboxylic acid esters Polyols Organic oxides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tropolone - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Cyclic ketone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Polyol - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2. |
| 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 |
|---|---|---|---|
 B2308162 | Certificate of Analysis | Oct 30, 2025 | C288833 |
| B2308165 | Certificate of Analysis | Oct 30, 2025 | C288833 |
| B2308166 | Certificate of Analysis | Oct 30, 2025 | C288833 |
| B2308168 | Certificate of Analysis | Oct 30, 2025 | C288833 |
| B2308214 | Certificate of Analysis | Oct 30, 2025 | C288833 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 36.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.12, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 362.400 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 362.137 Da |
| Monoisotopic Mass | 362.137 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 763.000 |
| 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 |
| 1. Xu-Han Liu, Zhe Zhai, Ling-Ling Tao, Nan-Yu Chen, Yong-Xian Cheng. (2026) Virus-inspired Ganoderma lucidum polysaccharide-functionalized adjuvant with pseudo-zwitterionic interface for potentiated nasal immunization. CARBOHYDRATE POLYMERS, [PMID:] [10.1016/j.carbpol.2026.125183] |
