≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
|---|---|
| IUPAC Name | (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| InChIKey | NNJPGOLRFBJNIW-HNNXBMFYSA-N |
| INCHI | 1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1 |
| Isomeric SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| PubChem CID | 220401 |
| Molecular Weight | 371.43 |
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 | Hydrocarbon derivatives |
| Class | Tropones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropones |
| Alternative Parents | Anisoles Aralkylamines Alkyl aryl ethers Cyclic ketones Dialkylamines Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Anisole - Tropone - Alkyl aryl ether - Aralkylamine - Benzenoid - Cyclic ketone - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group. |
| External Descriptors | alkaloid - secondary amino compound |
| Solubility | DMSO: 10 mg/mL |
|---|---|
| Molecular Weight | 371.400 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 371.173 Da |
| Monoisotopic Mass | 371.173 Da |
| Topological Polar Surface Area | 66.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 653.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
