≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=O |
|---|---|
| IUPAC Name | 17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| InChIKey | PSKVQQJLLWSBFV-UHFFFAOYSA-N |
| INCHI | 1S/C18H12O3/c19-17-15-13-9-5-1-2-6-10(9)14(16(15)18(20)21-17)12-8-4-3-7-11(12)13/h1-8,13-16H |
| Isomeric SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=O |
| PubChem CID | 138503 |
| Molecular Weight | 276.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Class | Lignan lactones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lignan lactones |
| Alternative Parents | Aryltetralin lignans Anthracenes Naphthofurans Tetralins Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Lignan lactone - 1-aryltetralin lignan - Anthracene - Naphthofuran - Tetralin - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Tetrahydrofuran - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. |
| External Descriptors | Not available |
| Molecular Weight | 276.300 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 276.079 Da |
| Monoisotopic Mass | 276.079 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 431.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![17-oxapentacyclo[6.6.5.0(2，7).0(9，14).0(15，19)]-nonadeca-2，4，6，9，11，13-hexaene-16，18-dione - ≥95% CAS No(5443-16-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/6/O695793.jpg)