≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Tussilagone, isolated from the flower of buds of Tussilago farfara (Compositae), is a sesquiterpenoid that is used as a traditional oriental medicine for asthma and bronchitis. It shows anti-inflammatory activity in in vitro studies.
| ALogP | 4.326 |
|---|---|
| Rotatable Bond | 8 |
| Pubchem Sid | 504767533 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767533 |
| Canonical Smiles | CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C |
| IUPAC Name | [(1S,3aR,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate |
| InChIKey | CFUPNMDNSQIWBB-UUVDBSHOSA-N |
| INCHI | 1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15-,17+,18+,20-,22+,23+/m1/s1 |
| Isomeric SMILES | CC/C(=C/C(=O)O[C@@H]1C[C@H]([C@H]2[C@H](C1=C)CC(=O)[C@@H]2[C@@H](C)OC(=O)C)C(C)C)/C |
| PubChem CID | 13919185 |
| Molecular Weight | 390.51 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sesquiterpenoids |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Enoate esters Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Sesquiterpenoid - Oplopane sesquiterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| 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 |
|---|---|---|---|
 G2214448 | Certificate of Analysis | Apr 03, 2025 | T414355 |
| G2214456 | Certificate of Analysis | Apr 03, 2025 | T414355 |
| G2214457 | Certificate of Analysis | Apr 03, 2025 | T414355 |
| G2214458 | Certificate of Analysis | Apr 03, 2025 | T414355 |
| Solubility | DMSO 78 mg/mL (199.73 mM) |
|---|---|
| Sensitivity | Light sensitive |
| DMSO(mg / mL) Max Solubility | 78 |
| DMSO(mM) Max Solubility | 199.737237981234 |
| Molecular Weight | 390.500 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 390.241 Da |
| Monoisotopic Mass | 390.241 Da |
| Topological Polar Surface Area | 69.700 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 674.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
