≥97% 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 | CCCCC(C(=O)O)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
|---|---|
| IUPAC Name | 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid |
| InChIKey | WOHGJIWWPZOXPP-UHFFFAOYSA-N |
| INCHI | 1S/C24H23NO4/c1-2-3-12-17(24(28)29)25-22(26)20-18-13-8-4-5-9-14(13)19(21(20)23(25)27)16-11-7-6-10-15(16)18/h4-11,17-21H,2-3,12H2,1H3,(H,28,29) |
| Isomeric SMILES | CCCCC(C(=O)O)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
| PubChem CID | 4340082 |
| Molecular Weight | 389.4 |
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 | Aryltetralin lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryltetralin lignans |
| Alternative Parents | Anthracenes Tetralins Alpha amino acids and derivatives Isoindolones Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-aryltetralin lignan - Anthracene - Alpha-amino acid or derivatives - Isoindolone - Tetralin - Isoindoline - Isoindole or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Benzenoid - N-alkylpyrrolidine - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Fatty acid - Fatty acyl - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 389.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 389.163 Da |
| Monoisotopic Mass | 389.163 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)hexanoic acid - ≥97% CAS No(475100-30-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D983360.jpg)