≥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
Blinin, isolated from the whole plant ofConyza blinii, is used in folk medicine in the south-west of China.
| ALogP | 2.258 |
|---|---|
| Nombre de HBD | 2 |
| Liaison rotative | 7 |
| Pubchem Sid | 504771718 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771718 |
| Sourires canoniques | CC1CCC2(C(C1(C)CCC3=CC(=O)OC3)CC(C=C2CO)O)COC(=O)C |
| IUPAC Name | [(2S,4aS,7R,8S,8aR)-2-hydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate |
| InChIKey | XXSSNTKMBVTREV-DDHROXKOSA-N |
| INCHI | 1S/C22H32O6/c1-14-4-7-22(13-28-15(2)24)17(11-23)9-18(25)10-19(22)21(14,3)6-5-16-8-20(26)27-12-16/h8-9,14,18-19,23,25H,4-7,10-13H2,1-3H3/t14-,18-,19-,21+,22-/m1/s1 |
| Isomères SMILES | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)C[C@@H](C=C2CO)O)COC(=O)C |
| PubChem CID | 59054177 |
| Poids moléculaire | 392.49 |
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 |
| Classe | Prenol lipids |
| Subclass | Terpene lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diterpene lactones |
| Alternative Parents | Colensane and clerodane diterpenoids Dicarboxylic acids and derivatives Butenolides Enoate esters Secondary alcohols Lactones Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Diterpene lactone - Diterpenoid - Clerodane diterpenoid - 2-furanone - Dicarboxylic acid or derivatives - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
| 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 | Article |
|---|---|---|---|
 F2229152 | Certificate of Analysis | Apr 03, 2025 | B414410 |
| F2229181 | Certificate of Analysis | Apr 03, 2025 | B414410 |
| F2229182 | Certificate of Analysis | Apr 03, 2025 | B414410 |
| F2229183 | Certificate of Analysis | Apr 03, 2025 | B414410 |
| Solubilité | Solubility (25°C) In vitro DMSO: 78 mg/mL (198.73 mM); |
|---|---|
| DMSO (mg/mL) Solubilité maximale | 78 |
| DMSO (mM) Solubilité maximale | 198.731177864404 |
| Eau (mg/mL) Solubilité maximale | -1 |
| Poids moléculaire | 392.500 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 392.22 Da |
| Monoisotopic Mass | 392.22 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
