≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | COC1=CC(=CC(=C1O)OC)C2C(OC3=C(O2)C=CC4=C3OC(=O)C=C4)CO |
|---|---|
| IUPAC Name | (2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one |
| InChIKey | QLFQDIADUIVNRF-CRAIPNDOSA-N |
| INCHI | 1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1 |
| Isomeric SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](OC3=C(O2)C=CC4=C3OC(=O)C=C4)CO |
| Alternate CAS | 83327-22-4 |
| PubChem CID | 158341 |
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 | Lignans, neolignans and related compounds |
| Class | Coumarinolignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarinolignans |
| Alternative Parents | Phenylbenzo-1,4-dioxanes p-Dioxolo[2,3-h]coumarins 1-benzopyrans Benzo-1,4-dioxanes Dimethoxybenzenes Methoxyphenols Anisoles Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Para dioxins Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Benzo-1,4-dioxane - Benzodioxane - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Pyranone - Phenol - Alkyl aryl ether - Para-dioxin - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Primary alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin. |
| External Descriptors | oxacycle |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 386.400 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 386.1 Da |
| Monoisotopic Mass | 386.1 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 581.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
